benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate

C24H23NO4 — CID 177492417

IUPACbenzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)23(26)25-22(16-18-8-4-2-5-9-18)24(27)29-17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyDOERBZPFPXLIIN-QFIPXVFZSA-N
MW389.45 g/mol
LogP3.78
Rot. Bonds8

About benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate

benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 177492417) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID177492417
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namebenzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)23(26)25-22(16-18-8-4-2-5-9-18)24(27)29-17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyDOERBZPFPXLIIN-QFIPXVFZSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
CID 132580689
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
benzyl 2-[(4-methoxybenzoyl)amino]-3-oxo-3-phenylpropanoate
CID 44557729
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 98418794
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate (CID 177492417) is benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate is COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is DOERBZPFPXLIIN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-21-14-12-20(13-15-21)23(26)25-22(16-18-8-4-2-5-9-18)24(27)29-17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate?
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 389.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 177492417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).