4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid

C17H17NO3 — CID 62004416

IUPAC4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
SMILESCCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-12-4-10-15(11-5-12)18(2)16(19)13-6-8-14(9-7-13)17(20)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXYDXAQAAQXRVPN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.22
Rot. Bonds4

About 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid

4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid (PubChem CID 62004416) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
PubChem CID62004416
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
SMILESCCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-12-4-10-15(11-5-12)18(2)16(19)13-6-8-14(9-7-13)17(20)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXYDXAQAAQXRVPN-UHFFFAOYSA-N
XLogP3.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
4-ethylbenzoic acid;formaldehyde
CID 155718391
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
6-(ethylamino)-N-(4-ethylphenyl)-N-methylpyridine-3-carboxamide
CID 62175324
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79692778

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid (CID 62004416) is 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid is CCc1ccc(N(C)C(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid?
The InChIKey is XYDXAQAAQXRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-12-4-10-15(11-5-12)18(2)16(19)13-6-8-14(9-7-13)17(20)21/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid?
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 62004416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).