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

C17H19N3O2 — CID 29352763

IUPAC4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-2-12-4-3-5-15(10-12)20-16(21)14-8-6-13(7-9-14)11-19-17(18)22/h3-10H,2,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyOEXSMIYXLGMGPD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds5

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

4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide (PubChem CID 29352763) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
PubChem CID29352763
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-2-12-4-3-5-15(10-12)20-16(21)14-8-6-13(7-9-14)11-19-17(18)22/h3-10H,2,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyOEXSMIYXLGMGPD-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)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

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
(3-ethylphenyl)methylurea
CID 70298508
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide (CID 29352763) is 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide is CCc1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide?
The InChIKey is OEXSMIYXLGMGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-12-4-3-5-15(10-12)20-16(21)14-8-6-13(7-9-14)11-19-17(18)22/h3-10H,2,11H2,1H3,(H,20,21)(H3,18,19,22).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.67, 5 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-ethylphenyl)benzamide is sourced from PubChem (CID 29352763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).