2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene

C144H142BrN15O8S3 — CID 161438498

IUPAC2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene
SMILESCC#Cc1ccc(CC#N)cc1.CC#Cc1ccc(N2CCNC2=O)cc1.CC#Cc1ccc(NC(=O)CCCBr)cc1.CC#Cc1ccc(NC(=O)CN)cc1.CC#Cc1ccc(NC(=O)[C@@H]2CCCN2)cc1.CC#Cc1ccc(NC(=O)c2cnc[nH]2)cc1.CC#Cc1ccc(NS(=O)(=O)CC)cc1.CC#Cc1ccc(O)cc1.CC#Cc1cccc(N)c1.CC#Cc1ccccc1C.CC#Cc1ccccc1N.CC#Cc1ccccn1.CC#Cc1cccs1.CC#Cc1ccsc1
InChIInChI=1S/C14H16N2O.C13H14BrNO.C13H11N3O.C12H12N2O.C11H12N2O.C11H13NO2S.C11H9N.C10H10.2C9H9N.C9H8O.C8H7N.2C7H6S/c1-2-4-11-6-8-12(9-7-11)16-14(17)13-5-3-10-15-13;1-2-4-11-6-8-12(9-7-11)15-13(16)5-3-10-14;1-2-3-10-4-6-11(7-5-10)16-13(17)12-8-14-9-15-12;1-2-3-10-4-6-11(7-5-10)14-9-8-13-12(14)15;1-2-3-9-4-6-10(7-5-9)13-11(14)8-12;1-3-5-10-6-8-11(9-7-10)12-15(13,14)4-2;1-2-3-10-4-6-11(7-5-10)8-9-12;1-3-6-10-8-5-4-7-9(10)2;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;1-2-3-8-4-6-9(10)7-5-8;1-2-5-8-6-3-4-7-9-8;1-2-4-7-5-3-6-8-7;1-2-3-7-4-5-8-6-7/h6-9,13,15H,3,5,10H2,1H3,(H,16,17);6-9H,3,5,10H2,1H3,(H,15,16);4-9H,1H3,(H,14,15)(H,16,17);4-7H,8-9H2,1H3,(H,13,15);4-7H,8,12H2,1H3,(H,13,14);6-9,12H,4H2,1-2H3;4-7H,8H2,1H3;4-5,7-8H,1-2H3;3-4,6-7H,10H2,1H3;3,5-7H,10H2,1H3;4-7,10H,1H3;3-4,6-7H,1H3;3,5-6H,1H3;4-6H,1H3/t13-;;;;;;;;;;;;;/m0............./s1
InChIKeyVYYOXLHRAYAFIU-YZMHUFIMSA-N
MW2386.92 g/mol
LogP26.54
Rot. Bonds15

About 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene

2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene (PubChem CID 161438498) has the molecular formula C144H142BrN15O8S3 and a molecular weight of 2386.92 g/mol. Its IUPAC name is 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene.

Molecular Properties

Compound Name2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene
PubChem CID161438498
Molecular FormulaC144H142BrN15O8S3
Molecular Weight2386.92 g/mol
Exact Mass2383.95
IUPAC Name2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene
SMILESCC#Cc1ccc(CC#N)cc1.CC#Cc1ccc(N2CCNC2=O)cc1.CC#Cc1ccc(NC(=O)CCCBr)cc1.CC#Cc1ccc(NC(=O)CN)cc1.CC#Cc1ccc(NC(=O)[C@@H]2CCCN2)cc1.CC#Cc1ccc(NC(=O)c2cnc[nH]2)cc1.CC#Cc1ccc(NS(=O)(=O)CC)cc1.CC#Cc1ccc(O)cc1.CC#Cc1cccc(N)c1.CC#Cc1ccccc1C.CC#Cc1ccccc1N.CC#Cc1ccccn1.CC#Cc1cccs1.CC#Cc1ccsc1
InChIInChI=1S/C14H16N2O.C13H14BrNO.C13H11N3O.C12H12N2O.C11H12N2O.C11H13NO2S.C11H9N.C10H10.2C9H9N.C9H8O.C8H7N.2C7H6S/c1-2-4-11-6-8-12(9-7-11)16-14(17)13-5-3-10-15-13;1-2-4-11-6-8-12(9-7-11)15-13(16)5-3-10-14;1-2-3-10-4-6-11(7-5-10)16-13(17)12-8-14-9-15-12;1-2-3-10-4-6-11(7-5-10)14-9-8-13-12(14)15;1-2-3-9-4-6-10(7-5-9)13-11(14)8-12;1-3-5-10-6-8-11(9-7-10)12-15(13,14)4-2;1-2-3-10-4-6-11(7-5-10)8-9-12;1-3-6-10-8-5-4-7-9(10)2;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;1-2-3-8-4-6-9(10)7-5-8;1-2-5-8-6-3-4-7-9-8;1-2-4-7-5-3-6-8-7;1-2-3-7-4-5-8-6-7/h6-9,13,15H,3,5,10H2,1H3,(H,16,17);6-9H,3,5,10H2,1H3,(H,15,16);4-9H,1H3,(H,14,15)(H,16,17);4-7H,8-9H2,1H3,(H,13,15);4-7H,8,12H2,1H3,(H,13,14);6-9,12H,4H2,1-2H3;4-7H,8H2,1H3;4-5,7-8H,1-2H3;3-4,6-7H,10H2,1H3;3,5-7H,10H2,1H3;4-7,10H,1H3;3-4,6-7H,1H3;3,5-6H,1H3;4-6H,1H3/t13-;;;;;;;;;;;;;/m0............./s1
InChIKeyVYYOXLHRAYAFIU-YZMHUFIMSA-N
XLogP26.54
TPSA370.59 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.92
LogP ≤ 526.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene with MolForge

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Related Compounds

2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1,2-dimethoxy-4-prop-1-ynylbenzene;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene
CID 157709890
CID 158167955
CID 158167955
CID 158227152
CID 158227152
2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1,2-dimethoxy-4-prop-1-ynylbenzene;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;3-prop-1-ynylphenol;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene
CID 159901874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene?
The IUPAC name of 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene (CID 161438498) is 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene.
What is the SMILES notation for 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene?
The canonical SMILES for 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene is CC#Cc1ccc(CC#N)cc1.CC#Cc1ccc(N2CCNC2=O)cc1.CC#Cc1ccc(NC(=O)CCCBr)cc1.CC#Cc1ccc(NC(=O)CN)cc1.CC#Cc1ccc(NC(=O)[C@@H]2CCCN2)cc1.CC#Cc1ccc(NC(=O)c2cnc[nH]2)cc1.CC#Cc1ccc(NS(=O)(=O)CC)cc1.CC#Cc1ccc(O)cc1.CC#Cc1cccc(N)c1.CC#Cc1ccccc1C.CC#Cc1ccccc1N.CC#Cc1ccccn1.CC#Cc1cccs1.CC#Cc1ccsc1.
What is the InChIKey of 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene?
The InChIKey is VYYOXLHRAYAFIU-YZMHUFIMSA-N. The full InChI is InChI=1S/C14H16N2O.C13H14BrNO.C13H11N3O.C12H12N2O.C11H12N2O.C11H13NO2S.C11H9N.C10H10.2C9H9N.C9H8O.C8H7N.2C7H6S/c1-2-4-11-6-8-12(9-7-11)16-14(17)13-5-3-10-15-13;1-2-4-11-6-8-12(9-7-11)15-13(16)5-3-10-14;1-2-3-10-4-6-11(7-5-10)16-13(17)12-8-14-9-15-12;1-2-3-10-4-6-11(7-5-10)14-9-8-13-12(14)15;1-2-3-9-4-6-10(7-5-9)13-11(14)8-12;1-3-5-10-6-8-11(9-7-10)12-15(13,14)4-2;1-2-3-10-4-6-11(7-5-10)8-9-12;1-3-6-10-8-5-4-7-9(10)2;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;1-2-3-8-4-6-9(10)7-5-8;1-2-5-8-6-3-4-7-9-8;1-2-4-7-5-3-6-8-7;1-2-3-7-4-5-8-6-7/h6-9,13,15H,3,5,10H2,1H3,(H,16,17);6-9H,3,5,10H2,1H3,(H,15,16);4-9H,1H3,(H,14,15)(H,16,17);4-7H,8-9H2,1H3,(H,13,15);4-7H,8,12H2,1H3,(H,13,14);6-9,12H,4H2,1-2H3;4-7H,8H2,1H3;4-5,7-8H,1-2H3;3-4,6-7H,10H2,1H3;3,5-7H,10H2,1H3;4-7,10H,1H3;3-4,6-7H,1H3;3,5-6H,1H3;4-6H,1H3/t13-;;;;;;;;;;;;;/m0............./s1.
What are the key properties of 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene?
2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene has a molecular weight of 2386.92 g/mol, XLogP of 26.54, 15 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-prop-1-ynylphenyl)acetamide;4-bromo-N-(4-prop-1-ynylphenyl)butanamide;1-methyl-2-prop-1-ynylbenzene;2-prop-1-ynylaniline;3-prop-1-ynylaniline;4-prop-1-ynylphenol;2-(4-prop-1-ynylphenyl)acetonitrile;N-(4-prop-1-ynylphenyl)ethanesulfonamide;N-(4-prop-1-ynylphenyl)-1H-imidazole-5-carboxamide;1-(4-prop-1-ynylphenyl)imidazolidin-2-one;(2S)-N-(4-prop-1-ynylphenyl)pyrrolidine-2-carboxamide;2-prop-1-ynylpyridine;2-prop-1-ynylthiophene;3-prop-1-ynylthiophene is sourced from PubChem (CID 161438498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).