N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide

C17H18N2O2 — CID 114822209

IUPACN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2C#CCN)co1
InChIInChI=1S/C17H18N2O2/c1-13-10-16(12-21-13)17(20)19(2)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,12H,9,11,18H2,1-2H3
InChIKeyIENGWAOPWSLBSU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.17
Rot. Bonds3

About N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide (PubChem CID 114822209) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
PubChem CID114822209
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2C#CCN)co1
InChIInChI=1S/C17H18N2O2/c1-13-10-16(12-21-13)17(20)19(2)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,12H,9,11,18H2,1-2H3
InChIKeyIENGWAOPWSLBSU-UHFFFAOYSA-N
XLogP2.17
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106688761
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66334390
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 62590239
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylethanesulfonamide
CID 54966428
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide
CID 114821401
3-[[2-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917845
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 54969275
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpentan-1-amine
CID 54969470
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 114818756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide (CID 114822209) is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2C#CCN)co1.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide?
The InChIKey is IENGWAOPWSLBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-10-16(12-21-13)17(20)19(2)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,12H,9,11,18H2,1-2H3.
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide?
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 114822209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).