benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate

C25H26N2O2 — CID 10992678

IUPACbenzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate
SMILESO=C(N[C@@H]1CC[C@H]1NC(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O2/c28-25(29-18-19-10-4-1-5-11-19)27-23-17-16-22(23)26-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26H,16-18H2,(H,27,28)/t22-,23-/m1/s1
InChIKeyRRUCGOGWAHDQFI-DHIUTWEWSA-N
MW386.50 g/mol
LogP4.82
Rot. Bonds7

About benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate

benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate (PubChem CID 10992678) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate
PubChem CID10992678
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Namebenzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate
SMILESO=C(N[C@@H]1CC[C@H]1NC(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H26N2O2/c28-25(29-18-19-10-4-1-5-11-19)27-23-17-16-22(23)26-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26H,16-18H2,(H,27,28)/t22-,23-/m1/s1
InChIKeyRRUCGOGWAHDQFI-DHIUTWEWSA-N
XLogP4.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[(1R)-2-[[(R)-cyano(phenyl)methyl]carbamoyl]cyclohexyl]carbamate
CID 10111041
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate (CID 10992678) is benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate is O=C(N[C@@H]1CC[C@H]1NC(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate?
The InChIKey is RRUCGOGWAHDQFI-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(29-18-19-10-4-1-5-11-19)27-23-17-16-22(23)26-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-24,26H,16-18H2,(H,27,28)/t22-,23-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate?
benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate has a molecular weight of 386.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-(benzhydrylamino)cyclobutyl]carbamate is sourced from PubChem (CID 10992678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).