4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid

C19H21NO6 — CID 119186551

IUPAC4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
SMILESCOCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-24-11-10-20(15-8-9-16(25-2)17(12-15)26-3)18(21)13-4-6-14(7-5-13)19(22)23/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyHAULTFIIJZUOGC-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.70
Rot. Bonds8

About 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid

4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid (PubChem CID 119186551) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
PubChem CID119186551
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
SMILESCOCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-24-11-10-20(15-8-9-16(25-2)17(12-15)26-3)18(21)13-4-6-14(7-5-13)19(22)23/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyHAULTFIIJZUOGC-UHFFFAOYSA-N
XLogP2.70
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 119186550
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119803293
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-4-(methylamino)butanamide;hydrochloride
CID 119803271
N-[3-(3,4-dimethoxy-N-methylanilino)propyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
CID 100949271
N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119803301
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 61428084
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid (CID 119186551) is 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid is COCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid?
The InChIKey is HAULTFIIJZUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-11-10-20(15-8-9-16(25-2)17(12-15)26-3)18(21)13-4-6-14(7-5-13)19(22)23/h4-9,12H,10-11H2,1-3H3,(H,22,23).
What are the key properties of 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid?
4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid has a molecular weight of 359.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 119186551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).