3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid

C19H21NO4 — CID 120689485

IUPAC3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
SMILESCOc1c(C)cc(C(=O)NCCc2cccc(C(=O)O)c2)cc1C
InChIInChI=1S/C19H21NO4/c1-12-9-16(10-13(2)17(12)24-3)18(21)20-8-7-14-5-4-6-15(11-14)19(22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUOVMXQJJODALSJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.98
Rot. Bonds6

About 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid

3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid (PubChem CID 120689485) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
PubChem CID120689485
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
SMILESCOc1c(C)cc(C(=O)NCCc2cccc(C(=O)O)c2)cc1C
InChIInChI=1S/C19H21NO4/c1-12-9-16(10-13(2)17(12)24-3)18(21)20-8-7-14-5-4-6-15(11-14)19(22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUOVMXQJJODALSJ-UHFFFAOYSA-N
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-methyl-5-(2-phenylethylcarbamoyl)benzoic acid
CID 68605911
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid (CID 120689485) is 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid is COc1c(C)cc(C(=O)NCCc2cccc(C(=O)O)c2)cc1C.
What is the InChIKey of 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid?
The InChIKey is UOVMXQJJODALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-9-16(10-13(2)17(12)24-3)18(21)20-8-7-14-5-4-6-15(11-14)19(22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid?
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 120689485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).