[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C23H27ClN2O7 — CID 29154774

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC
InChIInChI=1S/C23H27ClN2O7/c1-5-31-18-8-7-15(10-20(18)32-6-2)23(29)25-12-22(28)33-13-21(27)26-17-9-14(3)16(24)11-19(17)30-4/h7-11H,5-6,12-13H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyKHJKGPGRKFQRRP-UHFFFAOYSA-N
MW478.93 g/mol
LogP3.37
Rot. Bonds11

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 29154774) has the molecular formula C23H27ClN2O7 and a molecular weight of 478.93 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID29154774
Molecular FormulaC23H27ClN2O7
Molecular Weight478.93 g/mol
Exact Mass478.15
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC
InChIInChI=1S/C23H27ClN2O7/c1-5-31-18-8-7-15(10-20(18)32-6-2)23(29)25-12-22(28)33-13-21(27)26-17-9-14(3)16(24)11-19(17)30-4/h7-11H,5-6,12-13H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyKHJKGPGRKFQRRP-UHFFFAOYSA-N
XLogP3.37
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 35660599
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 36533829
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987719

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 29154774) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is KHJKGPGRKFQRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O7/c1-5-31-18-8-7-15(10-20(18)32-6-2)23(29)25-12-22(28)33-13-21(27)26-17-9-14(3)16(24)11-19(17)30-4/h7-11H,5-6,12-13H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 478.93 g/mol, XLogP of 3.37, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 29154774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).