N-phenoxyprop-2-enamide

C9H9NO2 — CID 88575986

IUPACN-phenoxyprop-2-enamide
SMILESC=CC(=O)NOc1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-9(11)10-12-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InChIKeyAMLFIWFJFWKYFB-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.28
Rot. Bonds3

About N-phenoxyprop-2-enamide

N-phenoxyprop-2-enamide (PubChem CID 88575986) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-phenoxyprop-2-enamide.

Molecular Properties

Compound NameN-phenoxyprop-2-enamide
PubChem CID88575986
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC NameN-phenoxyprop-2-enamide
SMILESC=CC(=O)NOc1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-9(11)10-12-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InChIKeyAMLFIWFJFWKYFB-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-phenoxyprop-2-enamide 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-fluorophenoxy)acetamide
CID 71726189
Phenoxy-ethyl amine
CID 12617693
N-Phenoxyacetamide
CID 537524
N-(3,5-difluorophenoxy)acetamide
CID 125475494
N-(4-methylphenoxy)acetamide
CID 10654597
Phenoxyaminopropane
CID 19907819
Benzoxazepinone
CID 19981944
N-phenoxypivalamide
CID 20584483
Acrylamidophenylboric acid
CID 129761406
N-hydroxy-3-phenoxy propanamide
CID 146681453
Benzoxazonin-3-one
CID 154177655
N-(2,4,5-trifluorophenoxy)propanamide
CID 87201021

Frequently Asked Questions

What is the IUPAC name of N-phenoxyprop-2-enamide?
The IUPAC name of N-phenoxyprop-2-enamide (CID 88575986) is N-phenoxyprop-2-enamide.
What is the SMILES notation for N-phenoxyprop-2-enamide?
The canonical SMILES for N-phenoxyprop-2-enamide is C=CC(=O)NOc1ccccc1.
What is the InChIKey of N-phenoxyprop-2-enamide?
The InChIKey is AMLFIWFJFWKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-9(11)10-12-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11).
What are the key properties of N-phenoxyprop-2-enamide?
N-phenoxyprop-2-enamide has a molecular weight of 163.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxyprop-2-enamide is sourced from PubChem (CID 88575986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).