tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate

C19H30N2O2 — CID 103759634

IUPACtert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
SMILESCC(CCNC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)10-11-20-16-12-17(13-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyDISNSCMSISKWKN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.83
Rot. Bonds6

About tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate

tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate (PubChem CID 103759634) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
PubChem CID103759634
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
SMILESCC(CCNC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)10-11-20-16-12-17(13-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyDISNSCMSISKWKN-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclopentyl]carbamate
CID 107862557
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate (CID 103759634) is tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate is CC(CCNC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate?
The InChIKey is DISNSCMSISKWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)10-11-20-16-12-17(13-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103759634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).