N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide

C14H19N3O2 — CID 16794289

IUPACN-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCCC1=O
InChIInChI=1S/C14H19N3O2/c1-10-4-5-11(15)9-12(10)16-13(18)6-8-17-7-2-3-14(17)19/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyADXTUBXOVJJLJY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 16794289) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID16794289
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCCC1=O
InChIInChI=1S/C14H19N3O2/c1-10-4-5-11(15)9-12(10)16-13(18)6-8-17-7-2-3-14(17)19/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyADXTUBXOVJJLJY-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
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N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
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N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
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N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(2,5-dimethylphenyl)-3-[(3R)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
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N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide (CID 16794289) is N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCCC1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is ADXTUBXOVJJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-4-5-11(15)9-12(10)16-13(18)6-8-17-7-2-3-14(17)19/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 16794289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).