N-phenylmethoxy-N-prop-2-enylbenzamide

C17H17NO2 — CID 134847084

IUPACN-phenylmethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyPJELLQIYMQCVTQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.45
Rot. Bonds6

About N-phenylmethoxy-N-prop-2-enylbenzamide

N-phenylmethoxy-N-prop-2-enylbenzamide (PubChem CID 134847084) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-phenylmethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-phenylmethoxy-N-prop-2-enylbenzamide
PubChem CID134847084
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-phenylmethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyPJELLQIYMQCVTQ-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenylmethoxy-N-prop-2-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-phenylmethoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-phenylmethoxy-N-prop-2-enylbenzamide (CID 134847084) is N-phenylmethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-phenylmethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-phenylmethoxy-N-prop-2-enylbenzamide is C=CCN(OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-phenylmethoxy-N-prop-2-enylbenzamide?
The InChIKey is PJELLQIYMQCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h2-12H,1,13-14H2.
What are the key properties of N-phenylmethoxy-N-prop-2-enylbenzamide?
N-phenylmethoxy-N-prop-2-enylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 134847084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).