2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide

C14H20N2O3 — CID 54907409

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
SMILESCC(NCC1COCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(15-9-13-10-18-7-8-19-13)14(17)16-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)
InChIKeyAQPVWDDXZJPWMU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds5

About 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide

2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide (PubChem CID 54907409) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
PubChem CID54907409
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
SMILESCC(NCC1COCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-11(15-9-13-10-18-7-8-19-13)14(17)16-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)
InChIKeyAQPVWDDXZJPWMU-UHFFFAOYSA-N
XLogP1.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide 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

2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
CID 61024472
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-phenylpropanamide
CID 66395417
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
2-[1-(oxolan-3-yl)ethylamino]-N-phenylpropanamide
CID 115660016
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide (CID 54907409) is 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide is CC(NCC1COCCO1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide?
The InChIKey is AQPVWDDXZJPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(15-9-13-10-18-7-8-19-13)14(17)16-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide?
2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide is sourced from PubChem (CID 54907409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).