(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide

C73H75BrN6O10 — CID 159622153

IUPAC(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide
SMILESCN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.CN1C(=O)[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.COCN(C(=O)[C@@H]1C(=O)N(C)[C@H]1COCc1ccccc1)c1ccccc1Br
InChIInChI=1S/2C26H26N2O3.C21H23BrN2O4/c2*1-27-23(19-31-18-21-13-7-3-8-14-21)24(25(27)29)26(30)28(22-15-9-4-10-16-22)17-20-11-5-2-6-12-20;1-23-18(13-28-12-15-8-4-3-5-9-15)19(20(23)25)21(26)24(14-27-2)17-11-7-6-10-16(17)22/h2*2-16,23-24H,17-19H2,1H3;3-11,18-19H,12-14H2,1-2H3/t23-,24+;23-,24-;18-,19-/m000/s1
InChIKeyMOAJJMCZXOTVKH-AASRGXSMSA-N
MW1276.34 g/mol
LogP10.85
Rot. Bonds24

About (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide

(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide (PubChem CID 159622153) has the molecular formula C73H75BrN6O10 and a molecular weight of 1276.34 g/mol. Its IUPAC name is (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide
PubChem CID159622153
Molecular FormulaC73H75BrN6O10
Molecular Weight1276.34 g/mol
Exact Mass1274.47
IUPAC Name(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide
SMILESCN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.CN1C(=O)[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.COCN(C(=O)[C@@H]1C(=O)N(C)[C@H]1COCc1ccccc1)c1ccccc1Br
InChIInChI=1S/2C26H26N2O3.C21H23BrN2O4/c2*1-27-23(19-31-18-21-13-7-3-8-14-21)24(25(27)29)26(30)28(22-15-9-4-10-16-22)17-20-11-5-2-6-12-20;1-23-18(13-28-12-15-8-4-3-5-9-15)19(20(23)25)21(26)24(14-27-2)17-11-7-6-10-16(17)22/h2*2-16,23-24H,17-19H2,1H3;3-11,18-19H,12-14H2,1-2H3/t23-,24+;23-,24-;18-,19-/m000/s1
InChIKeyMOAJJMCZXOTVKH-AASRGXSMSA-N
XLogP10.85
TPSA158.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.34
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide with MolForge

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Related Compounds

(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 101837420
(3R,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 139038594
(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-2-oxo-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 24777975
(3S,4R)-N-benzyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)-1-tritylazetidine-3-carboxamide
CID 101837421
(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide
CID 117847902
(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide
CID 129068292

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide (CID 159622153) is (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide is CN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.CN1C(=O)[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)[C@@H]1COCc1ccccc1.COCN(C(=O)[C@@H]1C(=O)N(C)[C@H]1COCc1ccccc1)c1ccccc1Br.
What is the InChIKey of (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
The InChIKey is MOAJJMCZXOTVKH-AASRGXSMSA-N. The full InChI is InChI=1S/2C26H26N2O3.C21H23BrN2O4/c2*1-27-23(19-31-18-21-13-7-3-8-14-21)24(25(27)29)26(30)28(22-15-9-4-10-16-22)17-20-11-5-2-6-12-20;1-23-18(13-28-12-15-8-4-3-5-9-15)19(20(23)25)21(26)24(14-27-2)17-11-7-6-10-16(17)22/h2*2-16,23-24H,17-19H2,1H3;3-11,18-19H,12-14H2,1-2H3/t23-,24+;23-,24-;18-,19-/m000/s1.
What are the key properties of (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide?
(3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide has a molecular weight of 1276.34 g/mol, XLogP of 10.85, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3R,4R)-N-benzyl-1-methyl-2-oxo-N-phenyl-4-(phenylmethoxymethyl)azetidine-3-carboxamide;(3S,4R)-N-(2-bromophenyl)-N-(methoxymethyl)-1-methyl-2-oxo-4-(phenylmethoxymethyl)azetidine-3-carboxamide is sourced from PubChem (CID 159622153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).