4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide

C16H23N3O2 — CID 119332635

IUPAC4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)N(C)C
InChIInChI=1S/C16H23N3O2/c1-11-10-12(6-7-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21)
InChIKeyCLYSXEFWVNMFKD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds3

About 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide

4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide (PubChem CID 119332635) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
PubChem CID119332635
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)N(C)C
InChIInChI=1S/C16H23N3O2/c1-11-10-12(6-7-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21)
InChIKeyCLYSXEFWVNMFKD-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide 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

5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321734

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide (CID 119332635) is 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide is Cc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide?
The InChIKey is CLYSXEFWVNMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-10-12(6-7-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21).
What are the key properties of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide?
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 119332635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).