N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide

C15H20INO2 — CID 113223582

IUPACN-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cccc(C)c1I
InChIInChI=1S/C15H20INO2/c1-3-17(9-12-7-8-19-10-12)15(18)13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3
InChIKeyJBSMJAXZJHESSX-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.10
Rot. Bonds4

About N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide

N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 113223582) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID113223582
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC NameN-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cccc(C)c1I
InChIInChI=1S/C15H20INO2/c1-3-17(9-12-7-8-19-10-12)15(18)13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3
InChIKeyJBSMJAXZJHESSX-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide 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-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 97239773
N-ethyl-6-(furan-2-yl)-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-3-carboxamide
CID 95296137
N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94836383
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 113223582) is N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1cccc(C)c1I.
What is the InChIKey of N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is JBSMJAXZJHESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c1-3-17(9-12-7-8-19-10-12)15(18)13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide?
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 373.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 113223582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).