4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide

C17H25N3O2 — CID 29206004

IUPAC4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
SMILESNC(=O)NCc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c18-17(22)19-12-13-8-10-14(11-9-13)16(21)20-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12H2,(H,20,21)(H3,18,19,22)
InChIKeyXUQDXZVRTWJQHB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.70
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide

4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide (PubChem CID 29206004) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
PubChem CID29206004
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
SMILESNC(=O)NCc1ccc(C(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c18-17(22)19-12-13-8-10-14(11-9-13)16(21)20-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12H2,(H,20,21)(H3,18,19,22)
InChIKeyXUQDXZVRTWJQHB-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide 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-(3-methylcyclopentyl)benzamide
CID 114549437
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide (CID 29206004) is 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide is NC(=O)NCc1ccc(C(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide?
The InChIKey is XUQDXZVRTWJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-17(22)19-12-13-8-10-14(11-9-13)16(21)20-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12H2,(H,20,21)(H3,18,19,22).
What are the key properties of 4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide?
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 2.70, 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-cyclooctylbenzamide is sourced from PubChem (CID 29206004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).