2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid

C15H20ClNO6 — CID 119189491

IUPAC2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCOc1c(Cl)cc(C(=O)N(CCOC)CC(=O)O)cc1OC
InChIInChI=1S/C15H20ClNO6/c1-4-23-14-11(16)7-10(8-12(14)22-3)15(20)17(5-6-21-2)9-13(18)19/h7-8H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyNVPPISRNTGEOFW-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.92
Rot. Bonds9

About 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid

2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189491) has the molecular formula C15H20ClNO6 and a molecular weight of 345.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189491
Molecular FormulaC15H20ClNO6
Molecular Weight345.78 g/mol
Exact Mass345.10
IUPAC Name2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCOc1c(Cl)cc(C(=O)N(CCOC)CC(=O)O)cc1OC
InChIInChI=1S/C15H20ClNO6/c1-4-23-14-11(16)7-10(8-12(14)22-3)15(20)17(5-6-21-2)9-13(18)19/h7-8H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyNVPPISRNTGEOFW-UHFFFAOYSA-N
XLogP1.92
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 71370887
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981
3-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 119212364
3-chloro-N,N-bis(cyanomethyl)-5-methoxy-4-propoxybenzamide
CID 78805821
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid (CID 119189491) is 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid is CCOc1c(Cl)cc(C(=O)N(CCOC)CC(=O)O)cc1OC.
What is the InChIKey of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is NVPPISRNTGEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO6/c1-4-23-14-11(16)7-10(8-12(14)22-3)15(20)17(5-6-21-2)9-13(18)19/h7-8H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 345.78 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).