N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide

C18H20N2O2 — CID 121105871

IUPACN-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(CO)C1
InChIInChI=1S/C18H20N2O2/c21-13-14-11-20(12-14)18(22)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2,(H,19,22)
InChIKeyAZJVJYHVXVMZCI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.41
Rot. Bonds4

About N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide

N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide (PubChem CID 121105871) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
PubChem CID121105871
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(CO)C1
InChIInChI=1S/C18H20N2O2/c21-13-14-11-20(12-14)18(22)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2,(H,19,22)
InChIKeyAZJVJYHVXVMZCI-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]-3-(hydroxymethyl)azetidine-1-carboxamide
CID 124849727
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
N-benzhydryl-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595119
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide (CID 121105871) is N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CC(CO)C1.
What is the InChIKey of N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide?
The InChIKey is AZJVJYHVXVMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-13-14-11-20(12-14)18(22)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,21H,11-13H2,(H,19,22).
What are the key properties of N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide?
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide is sourced from PubChem (CID 121105871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).