4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid

C17H17NO3 — CID 86221983

IUPAC4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
SMILESCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-3-18-16(19)14-5-4-11(2)15(10-14)12-6-8-13(9-7-12)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZMAYPRPXVCLPAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.11
Rot. Bonds4

About 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid

4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid (PubChem CID 86221983) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid.

Molecular Properties

Compound Name4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
PubChem CID86221983
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
SMILESCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-3-18-16(19)14-5-4-11(2)15(10-14)12-6-8-13(9-7-12)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZMAYPRPXVCLPAT-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-diethylphenyl)-4-methylbenzoic acid
CID 115482483
3-(4-butan-2-ylphenyl)-4-methylbenzoic acid
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4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-[10-[3,5-bis(ethylcarbamoyl)phenyl]anthracen-9-yl]benzoic acid
CID 171460430
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-3-methyl-5-[2-methyl-5-(piperidine-1-carbonyl)phenyl]benzamide
CID 142811406
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
CID 20619420
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
CID 123481458
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872

Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid?
The IUPAC name of 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid (CID 86221983) is 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid.
What is the SMILES notation for 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid?
The canonical SMILES for 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid is CCNC(=O)c1ccc(C)c(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid?
The InChIKey is ZMAYPRPXVCLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-18-16(19)14-5-4-11(2)15(10-14)12-6-8-13(9-7-12)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid?
4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid is sourced from PubChem (CID 86221983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).