3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide

C18H21N3O2 — CID 10495245

IUPAC3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
SMILESCc1cccc(NC(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-6-5-9-16(12-14)20-18(23)21(11-10-17(19)22)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,22)(H,20,23)
InChIKeyMVLZRNPDNXSUIS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.90
Rot. Bonds6

About 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide

3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide (PubChem CID 10495245) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
PubChem CID10495245
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
SMILESCc1cccc(NC(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-6-5-9-16(12-14)20-18(23)21(11-10-17(19)22)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,22)(H,20,23)
InChIKeyMVLZRNPDNXSUIS-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanoyl]piperidine-4-carboxylate
CID 42699516
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
CID 3845374
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
1-benzyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)thiourea
CID 7942645
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide (CID 10495245) is 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide is Cc1cccc(NC(=O)N(CCC(N)=O)Cc2ccccc2)c1.
What is the InChIKey of 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
The InChIKey is MVLZRNPDNXSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-6-5-9-16(12-14)20-18(23)21(11-10-17(19)22)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide?
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 10495245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).