N-(2-butyl-3-ethylphenyl)butanamide

C16H25NO — CID 71106739

IUPACN-(2-butyl-3-ethylphenyl)butanamide
SMILESCCCCc1c(CC)cccc1NC(=O)CCC
InChIInChI=1S/C16H25NO/c1-4-7-11-14-13(6-3)10-8-12-15(14)17-16(18)9-5-2/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,18)
InChIKeyTYOXBQVAKLFJJV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.33
Rot. Bonds7

About N-(2-butyl-3-ethylphenyl)butanamide

N-(2-butyl-3-ethylphenyl)butanamide (PubChem CID 71106739) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-butyl-3-ethylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-butyl-3-ethylphenyl)butanamide
PubChem CID71106739
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-butyl-3-ethylphenyl)butanamide
SMILESCCCCc1c(CC)cccc1NC(=O)CCC
InChIInChI=1S/C16H25NO/c1-4-7-11-14-13(6-3)10-8-12-15(14)17-16(18)9-5-2/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,18)
InChIKeyTYOXBQVAKLFJJV-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-butyl-3-ethylphenyl)butanamide 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

N-(2,3-diethylphenyl)propanamide
CID 142121633
(2,3-didodecylphenyl)carbamic acid
CID 151626949
(2,3-dihexylphenyl)carbamic acid
CID 67251451
N-(3-ethyl-2-pentoxyphenyl)butanamide
CID 71107194
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
zinc;N-(2,3-dibutylphenyl)carbamothioate;carbamothioate
CID 87178982
methyl N-(3-ethyl-2-propylphenyl)carbamate
CID 142214642
(2,3-dihexylphenyl)carbamothioic S-acid
CID 87178909
[2,3-di(nonyl)phenyl]urea
CID 175243703
[2,3-di(nonyl)phenyl]carbamothioic S-acid
CID 87179093

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3-ethylphenyl)butanamide?
The IUPAC name of N-(2-butyl-3-ethylphenyl)butanamide (CID 71106739) is N-(2-butyl-3-ethylphenyl)butanamide.
What is the SMILES notation for N-(2-butyl-3-ethylphenyl)butanamide?
The canonical SMILES for N-(2-butyl-3-ethylphenyl)butanamide is CCCCc1c(CC)cccc1NC(=O)CCC.
What is the InChIKey of N-(2-butyl-3-ethylphenyl)butanamide?
The InChIKey is TYOXBQVAKLFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-7-11-14-13(6-3)10-8-12-15(14)17-16(18)9-5-2/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,18).
What are the key properties of N-(2-butyl-3-ethylphenyl)butanamide?
N-(2-butyl-3-ethylphenyl)butanamide has a molecular weight of 247.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3-ethylphenyl)butanamide is sourced from PubChem (CID 71106739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).