N-[4-(2-ethylhexanoyl)phenyl]acetamide

C16H23NO2 — CID 43337939

IUPACN-[4-(2-ethylhexanoyl)phenyl]acetamide
SMILESCCCCC(CC)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23NO2/c1-4-6-7-13(5-2)16(19)14-8-10-15(11-9-14)17-12(3)18/h8-11,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyWODCSIHDRUOKBC-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.04
Rot. Bonds7

About N-[4-(2-ethylhexanoyl)phenyl]acetamide

N-[4-(2-ethylhexanoyl)phenyl]acetamide (PubChem CID 43337939) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(2-ethylhexanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethylhexanoyl)phenyl]acetamide
PubChem CID43337939
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[4-(2-ethylhexanoyl)phenyl]acetamide
SMILESCCCCC(CC)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23NO2/c1-4-6-7-13(5-2)16(19)14-8-10-15(11-9-14)17-12(3)18/h8-11,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyWODCSIHDRUOKBC-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-ethylhexanoyl)phenyl]acetamide 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-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide
CID 69331432
2-ethyl-1-(4-propoxyphenyl)hexan-1-one
CID 114971018
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide
CID 71201175
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
N-(4-nonanoylphenyl)acetamide
CID 65449309
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
6-(2-ethylhexanoyl)-1,4-dihydroquinoxaline-2,3-dione
CID 43338742

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylhexanoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-ethylhexanoyl)phenyl]acetamide (CID 43337939) is N-[4-(2-ethylhexanoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-ethylhexanoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-ethylhexanoyl)phenyl]acetamide is CCCCC(CC)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-ethylhexanoyl)phenyl]acetamide?
The InChIKey is WODCSIHDRUOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-6-7-13(5-2)16(19)14-8-10-15(11-9-14)17-12(3)18/h8-11,13H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-ethylhexanoyl)phenyl]acetamide?
N-[4-(2-ethylhexanoyl)phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylhexanoyl)phenyl]acetamide is sourced from PubChem (CID 43337939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).