(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

C20H21NO6 — CID 7882051

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C20H21NO6/c1-13(22)14-7-8-18(26-3)16(9-14)12-27-19(23)11-21-20(24)15-5-4-6-17(10-15)25-2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyWEINDPJAPNZSMK-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.38
Rot. Bonds8

About (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate

(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7882051) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7882051
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C20H21NO6/c1-13(22)14-7-8-18(26-3)16(9-14)12-27-19(23)11-21-20(24)15-5-4-6-17(10-15)25-2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyWEINDPJAPNZSMK-UHFFFAOYSA-N
XLogP2.38
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882414
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
(5-acetyl-2-methoxyphenyl)methyl 3-(3-methoxyphenyl)prop-2-enoate
CID 71954010
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate (CID 7882051) is (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is WEINDPJAPNZSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-13(22)14-7-8-18(26-3)16(9-14)12-27-19(23)11-21-20(24)15-5-4-6-17(10-15)25-2/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 371.39 g/mol, XLogP of 2.38, 8 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-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7882051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).