(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate

C21H26N2O2 — CID 90844894

IUPAC(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-16(2)13-22-21(24)25-19-14-23(15-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,22,24)
InChIKeyHQBNZZGOZVTCAI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.84
Rot. Bonds6

About (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate

(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate (PubChem CID 90844894) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
PubChem CID90844894
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-16(2)13-22-21(24)25-19-14-23(15-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,22,24)
InChIKeyHQBNZZGOZVTCAI-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzhydrylazetidin-3-yl) 3-amino-3-butan-2-yloxyprop-2-enoate
CID 139794344
[1-amino-3-(1-benzhydrylazetidin-3-yl)oxy-3-oxopropylidene]-methylazanium
CID 163486748
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
1-benzhydryl-3-but-2-enoxyazetidine
CID 67154585
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764
(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate
CID 86183471
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
5-(1-benzhydrylazetidin-3-yl)oxycarbonylpyridine-3-carboxylic acid
CID 141173413

Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate?
The IUPAC name of (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate (CID 90844894) is (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate.
What is the SMILES notation for (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate?
The canonical SMILES for (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate?
The InChIKey is HQBNZZGOZVTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)13-22-21(24)25-19-14-23(15-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,22,24).
What are the key properties of (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate?
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate is sourced from PubChem (CID 90844894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).