3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid

C15H21NO3 — CID 62821555

IUPAC3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
SMILESCCc1ccc(C(=O)N(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-6-8-13(9-7-12)15(19)16(5-2)11(3)10-14(17)18/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyGCLNRZBBBJOKSH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds6

About 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid

3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid (PubChem CID 62821555) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
PubChem CID62821555
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
SMILESCCc1ccc(C(=O)N(CC)C(C)CC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-6-8-13(9-7-12)15(19)16(5-2)11(3)10-14(17)18/h6-9,11H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyGCLNRZBBBJOKSH-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196
3-[(4-chloro-3-fluorobenzoyl)-ethylamino]butanoic acid
CID 114025721
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 55123665
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
CID 63393513
3-[(4-chlorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 62826590
3-[(2,3-dimethylbenzoyl)-ethylamino]butanoic acid
CID 62820337
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid (CID 62821555) is 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid is CCc1ccc(C(=O)N(CC)C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid?
The InChIKey is GCLNRZBBBJOKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-12-6-8-13(9-7-12)15(19)16(5-2)11(3)10-14(17)18/h6-9,11H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid?
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 62821555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).