tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate

C18H28N2O3 — CID 167890298

IUPACtert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
SMILESCC(CO)NC1CC(NC(=O)OC(C)(C)C)(c2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-13(12-21)19-15-10-18(11-15,14-8-6-5-7-9-14)20-16(22)23-17(2,3)4/h5-9,13,15,19,21H,10-12H2,1-4H3,(H,20,22)
InChIKeyLFQUVKUBPURKAB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate

tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate (PubChem CID 167890298) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
PubChem CID167890298
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
SMILESCC(CO)NC1CC(NC(=O)OC(C)(C)C)(c2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-13(12-21)19-15-10-18(11-15,14-8-6-5-7-9-14)20-16(22)23-17(2,3)4/h5-9,13,15,19,21H,10-12H2,1-4H3,(H,20,22)
InChIKeyLFQUVKUBPURKAB-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
tert-butyl N-[(1S,2S)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]carbamate
CID 99999101
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylphenyl)azetidine-1-carboxylate
CID 166608186

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate (CID 167890298) is tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate is CC(CO)NC1CC(NC(=O)OC(C)(C)C)(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate?
The InChIKey is LFQUVKUBPURKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(12-21)19-15-10-18(11-15,14-8-6-5-7-9-14)20-16(22)23-17(2,3)4/h5-9,13,15,19,21H,10-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate?
tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate is sourced from PubChem (CID 167890298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).