(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide

C19H19NO5 — CID 95318377

IUPAC(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C([C@@H]1COCCO1)N(Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-19(18-12-22-8-9-23-18)20(15-4-2-1-3-5-15)11-14-6-7-16-17(10-14)25-13-24-16/h1-7,10,18H,8-9,11-13H2/t18-/m0/s1
InChIKeyCDUNACFYXUHNPG-SFHVURJKSA-N
MW341.36 g/mol
LogP2.36
Rot. Bonds4

About (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide (PubChem CID 95318377) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
PubChem CID95318377
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
SMILESO=C([C@@H]1COCCO1)N(Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-19(18-12-22-8-9-23-18)20(15-4-2-1-3-5-15)11-14-6-7-16-17(10-14)25-13-24-16/h1-7,10,18H,8-9,11-13H2/t18-/m0/s1
InChIKeyCDUNACFYXUHNPG-SFHVURJKSA-N
XLogP2.36
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide 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

phenyl N-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)carbamate
CID 140967749
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
CID 42785999
N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904694
2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 42793697
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide
CID 56781359
methyl (E)-3-[3-[[4-[4-(dimethylamino)phenyl]phenyl]methyl-(1,4-dioxane-2-carbonyl)amino]phenyl]prop-2-enoate
CID 140902101
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 119319750

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide (CID 95318377) is (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide is O=C([C@@H]1COCCO1)N(Cc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide?
The InChIKey is CDUNACFYXUHNPG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19NO5/c21-19(18-12-22-8-9-23-18)20(15-4-2-1-3-5-15)11-14-6-7-16-17(10-14)25-13-24-16/h1-7,10,18H,8-9,11-13H2/t18-/m0/s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide?
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95318377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).