(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide

C18H31NO7 — CID 10833153

IUPAC(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@H]1[C@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC[C@H]1O
InChIInChI=1S/C18H31NO7/c1-7-19(8-2)16(21)15-12(23-15)14-13(25-18(5,6)26-14)11-10(20)9-22-17(3,4)24-11/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeyXTDURPFOGSBDTO-PEZGRIKUSA-N
MW373.45 g/mol
LogP0.65
Rot. Bonds5

About (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide

(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide (PubChem CID 10833153) has the molecular formula C18H31NO7 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide
PubChem CID10833153
Molecular FormulaC18H31NO7
Molecular Weight373.45 g/mol
Exact Mass373.21
IUPAC Name(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@H]1[C@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC[C@H]1O
InChIInChI=1S/C18H31NO7/c1-7-19(8-2)16(21)15-12(23-15)14-13(25-18(5,6)26-14)11-10(20)9-22-17(3,4)24-11/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeyXTDURPFOGSBDTO-PEZGRIKUSA-N
XLogP0.65
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide (CID 10833153) is (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide is CCN(CC)C(=O)[C@@H]1O[C@H]1[C@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OC[C@H]1O.
What is the InChIKey of (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide?
The InChIKey is XTDURPFOGSBDTO-PEZGRIKUSA-N. The full InChI is InChI=1S/C18H31NO7/c1-7-19(8-2)16(21)15-12(23-15)14-13(25-18(5,6)26-14)11-10(20)9-22-17(3,4)24-11/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide?
(2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-diethyl-3-[(4R,5S)-5-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxirane-2-carboxamide is sourced from PubChem (CID 10833153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).