N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide

C23H26N2O3 — CID 54651921

IUPACN-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H26N2O3/c1-24(22(27)18-12-13-18)14-19-21(16-8-4-2-5-9-16)20(15-26)25(19)23(28)17-10-6-3-7-11-17/h2-11,18-21,26H,12-15H2,1H3/t19-,20+,21-/m1/s1
InChIKeyCRBZDISXGSFFME-QHAWAJNXSA-N
MW378.47 g/mol
LogP2.52
Rot. Bonds6

About N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide

N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide (PubChem CID 54651921) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide
PubChem CID54651921
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide
SMILESCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1
InChIInChI=1S/C23H26N2O3/c1-24(22(27)18-12-13-18)14-19-21(16-8-4-2-5-9-16)20(15-26)25(19)23(28)17-10-6-3-7-11-17/h2-11,18-21,26H,12-15H2,1H3/t19-,20+,21-/m1/s1
InChIKeyCRBZDISXGSFFME-QHAWAJNXSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide 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 N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide (CID 54651921) is N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide is CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1)C(=O)C1CC1.
What is the InChIKey of N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide?
The InChIKey is CRBZDISXGSFFME-QHAWAJNXSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24(22(27)18-12-13-18)14-19-21(16-8-4-2-5-9-16)20(15-26)25(19)23(28)17-10-6-3-7-11-17/h2-11,18-21,26H,12-15H2,1H3/t19-,20+,21-/m1/s1.
What are the key properties of N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide?
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 54651921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).