ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate

C23H24N2O3 — CID 3845374

IUPACethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O3/c1-2-28-22(26)14-15-25(17-18-8-4-3-5-9-18)23(27)24-21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16H,2,14-15,17H2,1H3,(H,24,27)
InChIKeyVPZGYFOSNWHGAL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.83
Rot. Bonds7

About ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate

ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate (PubChem CID 3845374) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
PubChem CID3845374
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O3/c1-2-28-22(26)14-15-25(17-18-8-4-3-5-9-18)23(27)24-21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16H,2,14-15,17H2,1H3,(H,24,27)
InChIKeyVPZGYFOSNWHGAL-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-[(4-bromo-2-fluorophenyl)carbamoyl]amino]propanoate
CID 4989631
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
3-aminonaphthalene-2-carboxylic acid;ethyl 3-[(3-aminonaphthalene-2-carbonyl)-benzylamino]propanoate
CID 157099227
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245
ethyl 1-[3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanoyl]piperidine-4-carboxylate
CID 42699516
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
1-benzyl-3-phenyl-1-propylurea
CID 78786424

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate?
The IUPAC name of ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate (CID 3845374) is ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate?
The InChIKey is VPZGYFOSNWHGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-28-22(26)14-15-25(17-18-8-4-3-5-9-18)23(27)24-21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16H,2,14-15,17H2,1H3,(H,24,27).
What are the key properties of ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate?
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate has a molecular weight of 376.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate is sourced from PubChem (CID 3845374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).