[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate

C20H22N2O5 — CID 53316566

IUPAC[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate
SMILESCOc1ccc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-12-9-17(21-19(24)11-27-14(3)23)18(10-13(12)2)22-20(25)15-5-7-16(26-4)8-6-15/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBZCKXGKXRUOQAG-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.07
Rot. Bonds6

About [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate

[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate (PubChem CID 53316566) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate
PubChem CID53316566
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate
SMILESCOc1ccc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-12-9-17(21-19(24)11-27-14(3)23)18(10-13(12)2)22-20(25)15-5-7-16(26-4)8-6-15/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBZCKXGKXRUOQAG-UHFFFAOYSA-N
XLogP3.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
4-methoxy-N-(2-methoxy-4-prop-1-enylphenyl)benzamide
CID 59979422
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-methoxybenzoate
CID 7861707

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate (CID 53316566) is [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate is COc1ccc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc1.
What is the InChIKey of [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate?
The InChIKey is BZCKXGKXRUOQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12-9-17(21-19(24)11-27-14(3)23)18(10-13(12)2)22-20(25)15-5-7-16(26-4)8-6-15/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate?
[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate has a molecular weight of 370.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate is sourced from PubChem (CID 53316566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).