2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

C20H23NO7 — CID 119197682

IUPAC2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C20H23NO7/c1-25-15-7-13(8-16(10-15)26-2)11-21(12-19(22)23)20(24)14-5-6-17(27-3)18(9-14)28-4/h5-10H,11-12H2,1-4H3,(H,22,23)
InChIKeyRMKVCEWEBPGVLK-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.45
Rot. Bonds9

About 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 119197682) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID119197682
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C20H23NO7/c1-25-15-7-13(8-16(10-15)26-2)11-21(12-19(22)23)20(24)14-5-6-17(27-3)18(9-14)28-4/h5-10H,11-12H2,1-4H3,(H,22,23)
InChIKeyRMKVCEWEBPGVLK-UHFFFAOYSA-N
XLogP2.45
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 120518078
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192734
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
CID 119197735
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (CID 119197682) is 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is RMKVCEWEBPGVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-25-15-7-13(8-16(10-15)26-2)11-21(12-19(22)23)20(24)14-5-6-17(27-3)18(9-14)28-4/h5-10H,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 389.40 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 119197682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).