4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid

C18H19NO7 — CID 45397323

IUPAC4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)c(OC)c1
InChIInChI=1S/C18H19NO7/c1-23-12-5-6-13(15(9-12)24-2)19-17(20)10-26-14-7-4-11(18(21)22)8-16(14)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPEGPWTBIGVBMSI-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.43
Rot. Bonds8

About 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid

4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid (PubChem CID 45397323) has the molecular formula C18H19NO7 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
PubChem CID45397323
Molecular FormulaC18H19NO7
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)c(OC)c1
InChIInChI=1S/C18H19NO7/c1-23-12-5-6-13(15(9-12)24-2)19-17(20)10-26-14-7-4-11(18(21)22)8-16(14)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPEGPWTBIGVBMSI-UHFFFAOYSA-N
XLogP2.43
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2500974
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275265
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 42500569
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid (CID 45397323) is 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid is COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The InChIKey is PEGPWTBIGVBMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7/c1-23-12-5-6-13(15(9-12)24-2)19-17(20)10-26-14-7-4-11(18(21)22)8-16(14)25-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid has a molecular weight of 361.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 45397323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).