N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide

C17H23NO4 — CID 99971759

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide
SMILESCN(C[C@@H]1COCCO1)C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-18(12-15-13-21-10-11-22-15)17(20)9-5-8-16(19)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyGJMKWFWPSRIFLG-OAHLLOKOSA-N
MW305.37 g/mol
LogP1.91
Rot. Bonds7

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide (PubChem CID 99971759) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide
PubChem CID99971759
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide
SMILESCN(C[C@@H]1COCCO1)C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-18(12-15-13-21-10-11-22-15)17(20)9-5-8-16(19)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyGJMKWFWPSRIFLG-OAHLLOKOSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide 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-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
CID 86286846
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 97041010
1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-N-methylbenzamide
CID 86287110
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 29115615
3-(3-acetylphenyl)-1-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125176934
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 125446642
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 125446643

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide (CID 99971759) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide is CN(C[C@@H]1COCCO1)C(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide?
The InChIKey is GJMKWFWPSRIFLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-18(12-15-13-21-10-11-22-15)17(20)9-5-8-16(19)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide has a molecular weight of 305.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 99971759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).