benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate

C22H28N2O2 — CID 103393345

IUPACbenzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-10-8-17(9-11-19)14-23-20-12-21(13-20)24-22(25)26-15-18-6-4-3-5-7-18/h3-11,16,20-21,23H,12-15H2,1-2H3,(H,24,25)
InChIKeyVNCHSRFNWMJDBY-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.36
Rot. Bonds7

About benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate

benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate (PubChem CID 103393345) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
PubChem CID103393345
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namebenzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-10-8-17(9-11-19)14-23-20-12-21(13-20)24-22(25)26-15-18-6-4-3-5-7-18/h3-11,16,20-21,23H,12-15H2,1-2H3,(H,24,25)
InChIKeyVNCHSRFNWMJDBY-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate (CID 103393345) is benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate is CC(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1.
What is the InChIKey of benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is VNCHSRFNWMJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)19-10-8-17(9-11-19)14-23-20-12-21(13-20)24-22(25)26-15-18-6-4-3-5-7-18/h3-11,16,20-21,23H,12-15H2,1-2H3,(H,24,25).
What are the key properties of benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 352.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).