(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

C21H23NO6 — CID 2417654

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C21H23NO6/c1-4-27-18-8-5-15(6-9-18)21(25)22-12-20(24)28-13-17-11-16(14(2)23)7-10-19(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyCZYYGZLJWZYNMG-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.77
Rot. Bonds9

About (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2417654) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2417654
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C21H23NO6/c1-4-27-18-8-5-15(6-9-18)21(25)22-12-20(24)28-13-17-11-16(14(2)23)7-10-19(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyCZYYGZLJWZYNMG-UHFFFAOYSA-N
XLogP2.77
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
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4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
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CID 1744311

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 2417654) is (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is CZYYGZLJWZYNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-4-27-18-8-5-15(6-9-18)21(25)22-12-20(24)28-13-17-11-16(14(2)23)7-10-19(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 385.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2417654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).