benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate

C17H24N2O2 — CID 103393753

IUPACbenzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
SMILESC=CCC(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-3-7-13(2)18-15-10-16(11-15)19-17(20)21-12-14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3,(H,19,20)
InChIKeyPLPWPWQVSKWCMA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.00
Rot. Bonds7

About benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate

benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate (PubChem CID 103393753) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
PubChem CID103393753
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
SMILESC=CCC(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-3-7-13(2)18-15-10-16(11-15)19-17(20)21-12-14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3,(H,19,20)
InChIKeyPLPWPWQVSKWCMA-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
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-pent-4-en-2-ylcarbamate
CID 50916610
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-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate (CID 103393753) is benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate is C=CCC(C)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate?
The InChIKey is PLPWPWQVSKWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-7-13(2)18-15-10-16(11-15)19-17(20)21-12-14-8-5-4-6-9-14/h3-6,8-9,13,15-16,18H,1,7,10-12H2,2H3,(H,19,20).
What are the key properties of benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate?
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).