N-methoxy-N-pent-4-enylbenzamide

C13H17NO2 — CID 91362036

IUPACN-methoxy-N-pent-4-enylbenzamide
SMILESC=CCCCN(OC)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-4-8-11-14(16-2)13(15)12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8,11H2,2H3
InChIKeySPJIVWXBHAMCFZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.66
Rot. Bonds6

About N-methoxy-N-pent-4-enylbenzamide

N-methoxy-N-pent-4-enylbenzamide (PubChem CID 91362036) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methoxy-N-pent-4-enylbenzamide.

Molecular Properties

Compound NameN-methoxy-N-pent-4-enylbenzamide
PubChem CID91362036
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methoxy-N-pent-4-enylbenzamide
SMILESC=CCCCN(OC)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-4-8-11-14(16-2)13(15)12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8,11H2,2H3
InChIKeySPJIVWXBHAMCFZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-pent-4-enylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-pent-4-enylbenzamide?
The IUPAC name of N-methoxy-N-pent-4-enylbenzamide (CID 91362036) is N-methoxy-N-pent-4-enylbenzamide.
What is the SMILES notation for N-methoxy-N-pent-4-enylbenzamide?
The canonical SMILES for N-methoxy-N-pent-4-enylbenzamide is C=CCCCN(OC)C(=O)c1ccccc1.
What is the InChIKey of N-methoxy-N-pent-4-enylbenzamide?
The InChIKey is SPJIVWXBHAMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-4-8-11-14(16-2)13(15)12-9-6-5-7-10-12/h3,5-7,9-10H,1,4,8,11H2,2H3.
What are the key properties of N-methoxy-N-pent-4-enylbenzamide?
N-methoxy-N-pent-4-enylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-pent-4-enylbenzamide is sourced from PubChem (CID 91362036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).