benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate

C20H23ClN2O2 — CID 103392858

IUPACbenzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(16-7-9-17(21)10-8-16)22-18-11-19(12-18)23-20(24)25-13-15-5-3-2-4-6-15/h2-10,14,18-19,22H,11-13H2,1H3,(H,23,24)
InChIKeyWJRFYMILHGUYPB-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.45
Rot. Bonds6

About benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate

benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate (PubChem CID 103392858) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
PubChem CID103392858
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Namebenzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(16-7-9-17(21)10-8-16)22-18-11-19(12-18)23-20(24)25-13-15-5-3-2-4-6-15/h2-10,14,18-19,22H,11-13H2,1H3,(H,23,24)
InChIKeyWJRFYMILHGUYPB-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
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-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
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-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 103393541
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 103393723

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate (CID 103392858) is benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate?
The InChIKey is WJRFYMILHGUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(16-7-9-17(21)10-8-16)22-18-11-19(12-18)23-20(24)25-13-15-5-3-2-4-6-15/h2-10,14,18-19,22H,11-13H2,1H3,(H,23,24).
What are the key properties of benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate?
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate has a molecular weight of 358.87 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).