tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate

C18H28N2O2 — CID 103759638

IUPACtert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(Cc1ccccc1)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-13(10-14-8-6-5-7-9-14)19-15-11-16(12-15)20-17(21)22-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21)
InChIKeyQHXNZAHRXTZCSE-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate (PubChem CID 103759638) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
PubChem CID103759638
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
SMILESCC(Cc1ccccc1)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-13(10-14-8-6-5-7-9-14)19-15-11-16(12-15)20-17(21)22-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21)
InChIKeyQHXNZAHRXTZCSE-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
2-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]oxy-3-phenylpropanoic acid
CID 18951366
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate (CID 103759638) is tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate is CC(Cc1ccccc1)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is QHXNZAHRXTZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(10-14-8-6-5-7-9-14)19-15-11-16(12-15)20-17(21)22-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).