4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide

C15H21NO3 — CID 110369745

IUPAC4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2(C)OCCCO2)cc1
InChIInChI=1S/C15H21NO3/c1-12-4-6-13(7-5-12)14(17)16-9-8-15(2)18-10-3-11-19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyUSXPPKXLMLDKNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide

4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide (PubChem CID 110369745) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
PubChem CID110369745
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2(C)OCCCO2)cc1
InChIInChI=1S/C15H21NO3/c1-12-4-6-13(7-5-12)14(17)16-9-8-15(2)18-10-3-11-19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyUSXPPKXLMLDKNY-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]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

4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110355247
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide (CID 110369745) is 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCC2(C)OCCCO2)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide?
The InChIKey is USXPPKXLMLDKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-6-13(7-5-12)14(17)16-9-8-15(2)18-10-3-11-19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide?
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110369745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).