4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide

C16H23N3O2 — CID 115880620

IUPAC4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(2)8-7-13(9-16)19-14(20)12-5-3-11(4-6-12)10-18-15(17)21/h3-6,13H,7-10H2,1-2H3,(H,19,20)(H3,17,18,21)
InChIKeyOTIASMVDSFAOEU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide

4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide (PubChem CID 115880620) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
PubChem CID115880620
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(2)8-7-13(9-16)19-14(20)12-5-3-11(4-6-12)10-18-15(17)21/h3-6,13H,7-10H2,1-2H3,(H,19,20)(H3,17,18,21)
InChIKeyOTIASMVDSFAOEU-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide 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-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
CID 114549437
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide (CID 115880620) is 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide is CC1(C)CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide?
The InChIKey is OTIASMVDSFAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)8-7-13(9-16)19-14(20)12-5-3-11(4-6-12)10-18-15(17)21/h3-6,13H,7-10H2,1-2H3,(H,19,20)(H3,17,18,21).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 115880620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).