tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride

C21H27ClN2O2 — CID 170994169

IUPACtert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-21(2,3)25-20(24)22-18-14-23(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18-19H,14-15H2,1-3H3,(H,22,24);1H
InChIKeyZADGTIATFWLROC-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride

tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride (PubChem CID 170994169) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
PubChem CID170994169
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Nametert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-21(2,3)25-20(24)22-18-14-23(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18-19H,14-15H2,1-3H3,(H,22,24);1H
InChIKeyZADGTIATFWLROC-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
2-(3-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]acetic acid
CID 118705304
(1-benzhydrylazetidin-3-yl)-dimethyl-[(2-methylpropan-2-yl)oxycarbonylamino]azanium
CID 123731050
tert-butyl N-[1-[4-(1-benzhydrylazetidin-3-yl)oxyphenyl]sulfinylpiperidin-4-yl]carbamate
CID 164557616
tert-butyl N-[(1S)-1-[4-(1-benzhydrylazetidine-3-carbonyl)phenyl]ethyl]carbamate
CID 131729015
2-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]acetic acid
CID 131886638
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
tert-butyl N-[[1-(1-benzhydrylazetidin-3-yl)piperidin-4-yl]methyl]carbamate
CID 91581752
tert-butyl N-[[6-[(1-benzhydrylazetidin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 86618646
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
(2R)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride (CID 170994169) is tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1.Cl.
What is the InChIKey of tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride?
The InChIKey is ZADGTIATFWLROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-21(2,3)25-20(24)22-18-14-23(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18-19H,14-15H2,1-3H3,(H,22,24);1H.
What are the key properties of tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride?
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride is sourced from PubChem (CID 170994169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).