(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide

C25H24N2O3 — CID 129068291

IUPAC(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24-23(22(26-24)18-30-17-20-12-6-2-7-13-20)25(29)27(21-14-8-3-9-15-21)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2,(H,26,28)/t22-,23+/m0/s1
InChIKeyNCFFVZFBVUQQOV-XZOQPEGZSA-N
MW400.48 g/mol
LogP3.55
Rot. Bonds8

About (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide

(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide (PubChem CID 129068291) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide
PubChem CID129068291
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O3/c28-24-23(22(26-24)18-30-17-20-12-6-2-7-13-20)25(29)27(21-14-8-3-9-15-21)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2,(H,26,28)/t22-,23+/m0/s1
InChIKeyNCFFVZFBVUQQOV-XZOQPEGZSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide (CID 129068291) is (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide is O=C1N[C@@H](COCc2ccccc2)[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The InChIKey is NCFFVZFBVUQQOV-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24-23(22(26-24)18-30-17-20-12-6-2-7-13-20)25(29)27(21-14-8-3-9-15-21)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2,(H,26,28)/t22-,23+/m0/s1.
What are the key properties of (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide is sourced from PubChem (CID 129068291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).