N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide

C16H21NO3 — CID 71934119

IUPACN-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C16H21NO3/c1-3-10-19-14-8-6-13(7-9-14)16(18)17(2)12-15-5-4-11-20-15/h3,6-9,15H,1,4-5,10-12H2,2H3
InChIKeyOLJJLFVSFJKIIM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide

N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide (PubChem CID 71934119) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
PubChem CID71934119
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C16H21NO3/c1-3-10-19-14-8-6-13(7-9-14)16(18)17(2)12-15-5-4-11-20-15/h3,6-9,15H,1,4-5,10-12H2,2H3
InChIKeyOLJJLFVSFJKIIM-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide 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-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide (CID 71934119) is N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(C)CC2CCCO2)cc1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
The InChIKey is OLJJLFVSFJKIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-10-19-14-8-6-13(7-9-14)16(18)17(2)12-15-5-4-11-20-15/h3,6-9,15H,1,4-5,10-12H2,2H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide?
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 71934119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).