4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid

C14H19NO3 — CID 43452953

IUPAC4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
SMILESCCN(CC(C)C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(9-10(2)3)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyUKJYVBMYLAMVOY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.50
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid

4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid (PubChem CID 43452953) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
PubChem CID43452953
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
SMILESCCN(CC(C)C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(9-10(2)3)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyUKJYVBMYLAMVOY-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
5-[ethyl(2-methylpropyl)carbamoyl]furan-3-carboxylic acid
CID 104607143
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid (CID 43452953) is 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid is CCN(CC(C)C)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid?
The InChIKey is UKJYVBMYLAMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(9-10(2)3)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid?
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).