methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate

C21H20N2O5 — CID 102255340

IUPACmethyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate
SMILESCOC(=O)C(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H20N2O5/c1-27-18-11-7-6-10-15(18)20(25)23-19(24)12-16(14-8-4-3-5-9-14)17(13-22)21(26)28-2/h3-11,16-17H,12H2,1-2H3,(H,23,24,25)/t16-,17?/m0/s1
InChIKeyANAMAKZSUASUFY-BHWOMJMDSA-N
MW380.40 g/mol
LogP2.44
Rot. Bonds7

About methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate

methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate (PubChem CID 102255340) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate
PubChem CID102255340
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Namemethyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate
SMILESCOC(=O)C(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H20N2O5/c1-27-18-11-7-6-10-15(18)20(25)23-19(24)12-16(14-8-4-3-5-9-14)17(13-22)21(26)28-2/h3-11,16-17H,12H2,1-2H3,(H,23,24,25)/t16-,17?/m0/s1
InChIKeyANAMAKZSUASUFY-BHWOMJMDSA-N
XLogP2.44
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44270882
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[2-[(2-Methoxybenzoyl)amino]-2-oxoethyl] 2-phenylbutanoate
CID 24355738
4-methoxy-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 71453175
Methyl 2-methoxy-5-[(3-phenylbutanoylamino)methyl]benzoate
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2-methoxy-N-[4-[(2-methoxybenzoyl)amino]butyl]benzamide
CID 1799316
2-[4-Methoxy-3-(4-methoxy-benzylcarbamoyl)-benzyl]-butyric acid
CID 11111473
(e)-2-methoxy-N-3-(4-fluorophenyl)acryloylbenzamide
CID 129860923
(3r)-N-[4,4-dicyano-3-(4-fluorophenyl)butyryl]-2-methoxybenzamide
CID 129860926
N-(4-ethylbenzoyl)-2-methoxy-benzamide
CID 71594640
2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide
CID 150598517
N-(1-cyano-2-fluoro-1-phenylethyl)-4-methoxybenzamide
CID 152580947

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate?
The IUPAC name of methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate (CID 102255340) is methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate.
What is the SMILES notation for methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate?
The canonical SMILES for methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate is COC(=O)C(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1OC)c1ccccc1.
What is the InChIKey of methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate?
The InChIKey is ANAMAKZSUASUFY-BHWOMJMDSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-18-11-7-6-10-15(18)20(25)23-19(24)12-16(14-8-4-3-5-9-14)17(13-22)21(26)28-2/h3-11,16-17H,12H2,1-2H3,(H,23,24,25)/t16-,17?/m0/s1.
What are the key properties of methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate?
methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate has a molecular weight of 380.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-cyano-5-[(2-methoxybenzoyl)amino]-5-oxo-3-phenylpentanoate is sourced from PubChem (CID 102255340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).