N-[2-[(E)-hex-1-enyl]phenyl]butanamide

C16H23NO — CID 173339802

IUPACN-[2-[(E)-hex-1-enyl]phenyl]butanamide
SMILESCCCC/C=C/c1ccccc1NC(=O)CCC
InChIInChI=1S/C16H23NO/c1-3-5-6-7-11-14-12-8-9-13-15(14)17-16(18)10-4-2/h7-9,11-13H,3-6,10H2,1-2H3,(H,17,18)/b11-7+
InChIKeyHGSGFRPWHBJJPX-YRNVUSSQSA-N
MW245.37 g/mol
LogP4.63
Rot. Bonds7

About N-[2-[(E)-hex-1-enyl]phenyl]butanamide

N-[2-[(E)-hex-1-enyl]phenyl]butanamide (PubChem CID 173339802) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-[(E)-hex-1-enyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[(E)-hex-1-enyl]phenyl]butanamide
PubChem CID173339802
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2-[(E)-hex-1-enyl]phenyl]butanamide
SMILESCCCC/C=C/c1ccccc1NC(=O)CCC
InChIInChI=1S/C16H23NO/c1-3-5-6-7-11-14-12-8-9-13-15(14)17-16(18)10-4-2/h7-9,11-13H,3-6,10H2,1-2H3,(H,17,18)/b11-7+
InChIKeyHGSGFRPWHBJJPX-YRNVUSSQSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(E)-hex-1-enyl]phenyl]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-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
(2-but-1-enylphenyl)carbamic acid
CID 163942827
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
CID 54249873
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-ethylphenyl)undecanamide
CID 5078439
N-naphthalen-1-yldodecanamide
CID 588517
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
4-methyl-N-(2-pent-1-enylphenyl)benzamide
CID 71401621
N-(2-bromophenyl)butanamide
CID 732405
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-hex-1-enyl]phenyl]butanamide?
The IUPAC name of N-[2-[(E)-hex-1-enyl]phenyl]butanamide (CID 173339802) is N-[2-[(E)-hex-1-enyl]phenyl]butanamide.
What is the SMILES notation for N-[2-[(E)-hex-1-enyl]phenyl]butanamide?
The canonical SMILES for N-[2-[(E)-hex-1-enyl]phenyl]butanamide is CCCC/C=C/c1ccccc1NC(=O)CCC.
What is the InChIKey of N-[2-[(E)-hex-1-enyl]phenyl]butanamide?
The InChIKey is HGSGFRPWHBJJPX-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-6-7-11-14-12-8-9-13-15(14)17-16(18)10-4-2/h7-9,11-13H,3-6,10H2,1-2H3,(H,17,18)/b11-7+.
What are the key properties of N-[2-[(E)-hex-1-enyl]phenyl]butanamide?
N-[2-[(E)-hex-1-enyl]phenyl]butanamide has a molecular weight of 245.37 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-hex-1-enyl]phenyl]butanamide is sourced from PubChem (CID 173339802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).