4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide

C15H21N3O2 — CID 114549437

IUPAC4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-2-7-13(8-10)18-14(19)12-5-3-11(4-6-12)9-17-15(16)20/h3-6,10,13H,2,7-9H2,1H3,(H,18,19)(H3,16,17,20)
InChIKeyZCEPAGVQRDMNGU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds4

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

4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide (PubChem CID 114549437) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
PubChem CID114549437
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-2-7-13(8-10)18-14(19)12-5-3-11(4-6-12)9-17-15(16)20/h3-6,10,13H,2,7-9H2,1H3,(H,18,19)(H3,16,17,20)
InChIKeyZCEPAGVQRDMNGU-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
N-(3-methylcyclopentyl)-4-(propan-2-yloxymethyl)benzamide
CID 114549766
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide (CID 114549437) is 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2ccc(CNC(N)=O)cc2)C1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide?
The InChIKey is ZCEPAGVQRDMNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-2-7-13(8-10)18-14(19)12-5-3-11(4-6-12)9-17-15(16)20/h3-6,10,13H,2,7-9H2,1H3,(H,18,19)(H3,16,17,20).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3-methylcyclopentyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.77, 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-methylcyclopentyl)benzamide is sourced from PubChem (CID 114549437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).