3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide

C17H19N3O2 — CID 134691241

IUPAC3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCNC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-7-13(8-6-12)9-10-19-16(21)14-3-2-4-15(11-14)20-17(18)22/h2-8,11H,9-10H2,1H3,(H,19,21)(H3,18,20,22)
InChIKeyFZGJQLIBZAEMJQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds5

About 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide

3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide (PubChem CID 134691241) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
PubChem CID134691241
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(CCNC(=O)c2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-7-13(8-6-12)9-10-19-16(21)14-3-2-4-15(11-14)20-17(18)22/h2-8,11H,9-10H2,1H3,(H,19,21)(H3,18,20,22)
InChIKeyFZGJQLIBZAEMJQ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26312131
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108541864
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26312991
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide (CID 134691241) is 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide is Cc1ccc(CCNC(=O)c2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is FZGJQLIBZAEMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-5-7-13(8-6-12)9-10-19-16(21)14-3-2-4-15(11-14)20-17(18)22/h2-8,11H,9-10H2,1H3,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 134691241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).