1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide

C22H26N2O2 — CID 29135523

IUPAC1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(23-14-20-12-7-13-26-20)19-15-24(16-19)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2,(H,23,25)/t20-/m0/s1
InChIKeyRQVUVXFHONTXJL-FQEVSTJZSA-N
MW350.46 g/mol
LogP3.00
Rot. Bonds6

About 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide

1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide (PubChem CID 29135523) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
PubChem CID29135523
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(23-14-20-12-7-13-26-20)19-15-24(16-19)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2,(H,23,25)/t20-/m0/s1
InChIKeyRQVUVXFHONTXJL-FQEVSTJZSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
CID 124736028
4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109146947
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99872934

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide (CID 29135523) is 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide is O=C(NC[C@@H]1CCCO1)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
The InChIKey is RQVUVXFHONTXJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(23-14-20-12-7-13-26-20)19-15-24(16-19)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2,(H,23,25)/t20-/m0/s1.
What are the key properties of 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide?
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 29135523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).