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

C14H19NO — CID 10998472

IUPACN-[2-[(E)-hex-1-enyl]phenyl]acetamide
SMILESCCCC/C=C/c1ccccc1NC(C)=O
InChIInChI=1S/C14H19NO/c1-3-4-5-6-9-13-10-7-8-11-14(13)15-12(2)16/h6-11H,3-5H2,1-2H3,(H,15,16)/b9-6+
InChIKeyOTSMICWNFCOFNK-RMKNXTFCSA-N
MW217.31 g/mol
LogP3.85
Rot. Bonds5

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

N-[2-[(E)-hex-1-enyl]phenyl]acetamide (PubChem CID 10998472) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-[(E)-hex-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(E)-hex-1-enyl]phenyl]acetamide
PubChem CID10998472
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[2-[(E)-hex-1-enyl]phenyl]acetamide
SMILESCCCC/C=C/c1ccccc1NC(C)=O
InChIInChI=1S/C14H19NO/c1-3-4-5-6-9-13-10-7-8-11-14(13)15-12(2)16/h6-11H,3-5H2,1-2H3,(H,15,16)/b9-6+
InChIKeyOTSMICWNFCOFNK-RMKNXTFCSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.85
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]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-[2-[(E)-hex-1-enyl]phenyl]butanamide
CID 173339802
N-[2-(4-azidobut-1-enyl)phenyl]acetamide
CID 170485725
(2-but-1-enylphenyl)carbamic acid
CID 163942827
ethyl 4-(2-acetamidophenyl)but-3-enoate
CID 170796592
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
4-methyl-N-(2-pent-1-enylphenyl)benzamide
CID 71401621
1-[2-[(E)-dec-1-enyl]phenyl]ethanone
CID 11108026
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
2-hept-1-enylbenzoic acid
CID 70379014
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
CID 633952

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-hex-1-enyl]phenyl]acetamide?
The IUPAC name of N-[2-[(E)-hex-1-enyl]phenyl]acetamide (CID 10998472) is N-[2-[(E)-hex-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(E)-hex-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(E)-hex-1-enyl]phenyl]acetamide is CCCC/C=C/c1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(E)-hex-1-enyl]phenyl]acetamide?
The InChIKey is OTSMICWNFCOFNK-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-4-5-6-9-13-10-7-8-11-14(13)15-12(2)16/h6-11H,3-5H2,1-2H3,(H,15,16)/b9-6+.
What are the key properties of N-[2-[(E)-hex-1-enyl]phenyl]acetamide?
N-[2-[(E)-hex-1-enyl]phenyl]acetamide has a molecular weight of 217.31 g/mol, XLogP of 3.85, 5 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]acetamide is sourced from PubChem (CID 10998472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).