N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide

C16H23N3O — CID 78912242

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C16H23N3O/c1-3-8-17-12-16(20)18-15-7-6-14(11-13(15)2)19-9-4-5-10-19/h3,6-7,11,17H,1,4-5,8-10,12H2,2H3,(H,18,20)
InChIKeyRILVDBXSWFESNE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds6

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78912242) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID78912242
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C16H23N3O/c1-3-8-17-12-16(20)18-15-7-6-14(11-13(15)2)19-9-4-5-10-19/h3,6-7,11,17H,1,4-5,8-10,12H2,2H3,(H,18,20)
InChIKeyRILVDBXSWFESNE-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42155264

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide (CID 78912242) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is RILVDBXSWFESNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-17-12-16(20)18-15-7-6-14(11-13(15)2)19-9-4-5-10-19/h3,6-7,11,17H,1,4-5,8-10,12H2,2H3,(H,18,20).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78912242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).