benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate

C20H30N2O2 — CID 103393619

IUPACbenzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
SMILESC[C@@H](NC1CC(NC(=O)OCc2ccccc2)C1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(17-10-6-3-7-11-17)21-18-12-19(13-18)22-20(23)24-14-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-19,21H,3,6-7,10-14H2,1H3,(H,22,23)/t15-,18?,19?/m1/s1
InChIKeyYPGHJXHNMNBATJ-VNCLNFNDSA-N
MW330.47 g/mol
LogP4.00
Rot. Bonds6

About benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate

benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate (PubChem CID 103393619) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
PubChem CID103393619
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
SMILESC[C@@H](NC1CC(NC(=O)OCc2ccccc2)C1)C1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(17-10-6-3-7-11-17)21-18-12-19(13-18)22-20(23)24-14-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-19,21H,3,6-7,10-14H2,1H3,(H,22,23)/t15-,18?,19?/m1/s1
InChIKeyYPGHJXHNMNBATJ-VNCLNFNDSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723
benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate
CID 103393513
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate (CID 103393619) is benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate is C[C@@H](NC1CC(NC(=O)OCc2ccccc2)C1)C1CCCCC1.
What is the InChIKey of benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate?
The InChIKey is YPGHJXHNMNBATJ-VNCLNFNDSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(17-10-6-3-7-11-17)21-18-12-19(13-18)22-20(23)24-14-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-19,21H,3,6-7,10-14H2,1H3,(H,22,23)/t15-,18?,19?/m1/s1.
What are the key properties of benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate?
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).