[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

C20H20ClNO6 — CID 7564000

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClNO6/c1-12(22-19(24)13-4-6-14(21)7-5-13)20(25)28-11-17(23)16-10-15(26-2)8-9-18(16)27-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyMUXAQOTVTQWHHS-LBPRGKRZSA-N
MW405.83 g/mol
LogP2.90
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7564000) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7564000
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClNO6/c1-12(22-19(24)13-4-6-14(21)7-5-13)20(25)28-11-17(23)16-10-15(26-2)8-9-18(16)27-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyMUXAQOTVTQWHHS-LBPRGKRZSA-N
XLogP2.90
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2411284
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570876
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7564059
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2R)-2-benzamidopropanoate
CID 2593672
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306241
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7628185
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55927422
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7629515

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CID 7564000) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is COc1ccc(OC)c(C(=O)COC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is MUXAQOTVTQWHHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-12(22-19(24)13-4-6-14(21)7-5-13)20(25)28-11-17(23)16-10-15(26-2)8-9-18(16)27-3/h4-10,12H,11H2,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 405.83 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7564000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).