4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide

C16H21N3O2 — CID 79208809

IUPAC4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2C=CC(N)C2)c1C
InChIInChI=1S/C16H21N3O2/c1-3-15(20)18-13-5-4-6-14(10(13)2)19-16(21)11-7-8-12(17)9-11/h4-8,11-12H,3,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMXBKLFVPPNEJKP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79208809) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79208809
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2C=CC(N)C2)c1C
InChIInChI=1S/C16H21N3O2/c1-3-15(20)18-13-5-4-6-14(10(13)2)19-16(21)11-7-8-12(17)9-11/h4-8,11-12H,3,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMXBKLFVPPNEJKP-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-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

4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211393
4-amino-N-(2-propylphenyl)cyclopent-2-ene-1-carboxamide
CID 79210939
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-6-chlorobenzoic acid
CID 79208298
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
9-amino-N-[3-(butanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987456
4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide (CID 79208809) is 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide is CCC(=O)Nc1cccc(NC(=O)C2C=CC(N)C2)c1C.
What is the InChIKey of 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is MXBKLFVPPNEJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-15(20)18-13-5-4-6-14(10(13)2)19-16(21)11-7-8-12(17)9-11/h4-8,11-12H,3,9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).