3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate

C18H19N2O3- — CID 6930575

IUPAC3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
SMILESCc1ccc(NC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-9-16(10-8-14)19-18(23)20(12-11-17(21)22)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,23)(H,21,22)/p-1
InChIKeyUZOSJGSHVCEYIN-UHFFFAOYSA-M
MW311.36 g/mol
LogP2.17
Rot. Bonds6

About 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate

3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate (PubChem CID 6930575) has the molecular formula C18H19N2O3- and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Name3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
PubChem CID6930575
Molecular FormulaC18H19N2O3-
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
SMILESCc1ccc(NC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-9-16(10-8-14)19-18(23)20(12-11-17(21)22)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,23)(H,21,22)/p-1
InChIKeyUZOSJGSHVCEYIN-UHFFFAOYSA-M
XLogP2.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-cyanoethyl)-3-(4-methylphenyl)urea
CID 2812361
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
CID 3845374
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768059
1-benzyl-3-(4-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4612905

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate?
The IUPAC name of 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate (CID 6930575) is 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate is Cc1ccc(NC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1.
What is the InChIKey of 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate?
The InChIKey is UZOSJGSHVCEYIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N2O3/c1-14-7-9-16(10-8-14)19-18(23)20(12-11-17(21)22)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,23)(H,21,22)/p-1.
What are the key properties of 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate?
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate has a molecular weight of 311.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 6930575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).