N-(3-iodopropyl)-N-phenylmethoxyacetamide

C12H16INO2 — CID 24749669

IUPACN-(3-iodopropyl)-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCCI)OCc1ccccc1
InChIInChI=1S/C12H16INO2/c1-11(15)14(9-5-8-13)16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyWMIJZGJNWZOKBS-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.79
Rot. Bonds6

About N-(3-iodopropyl)-N-phenylmethoxyacetamide

N-(3-iodopropyl)-N-phenylmethoxyacetamide (PubChem CID 24749669) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(3-iodopropyl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-N-phenylmethoxyacetamide
PubChem CID24749669
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-(3-iodopropyl)-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCCI)OCc1ccccc1
InChIInChI=1S/C12H16INO2/c1-11(15)14(9-5-8-13)16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyWMIJZGJNWZOKBS-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-iodopropyl)-N-phenylmethoxyacetamide 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-(3-iodopropyl)-N-phenylmethoxyacetamide?
The IUPAC name of N-(3-iodopropyl)-N-phenylmethoxyacetamide (CID 24749669) is N-(3-iodopropyl)-N-phenylmethoxyacetamide.
What is the SMILES notation for N-(3-iodopropyl)-N-phenylmethoxyacetamide?
The canonical SMILES for N-(3-iodopropyl)-N-phenylmethoxyacetamide is CC(=O)N(CCCI)OCc1ccccc1.
What is the InChIKey of N-(3-iodopropyl)-N-phenylmethoxyacetamide?
The InChIKey is WMIJZGJNWZOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-11(15)14(9-5-8-13)16-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of N-(3-iodopropyl)-N-phenylmethoxyacetamide?
N-(3-iodopropyl)-N-phenylmethoxyacetamide has a molecular weight of 333.17 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 24749669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).