benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate

C20H30N2O4 — CID 103392907

IUPACbenzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCOCC2CCCO2)C1)OCc1ccccc1
InChIInChI=1S/C20H30N2O4/c23-20(26-14-16-6-2-1-3-7-16)22-18-12-17(13-18)21-9-5-10-24-15-19-8-4-11-25-19/h1-3,6-7,17-19,21H,4-5,8-15H2,(H,22,23)
InChIKeyLFHPLKRHDKKNCV-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.62
Rot. Bonds10

About benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate

benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate (PubChem CID 103392907) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
PubChem CID103392907
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namebenzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCOCC2CCCO2)C1)OCc1ccccc1
InChIInChI=1S/C20H30N2O4/c23-20(26-14-16-6-2-1-3-7-16)22-18-12-17(13-18)21-9-5-10-24-15-19-8-4-11-25-19/h1-3,6-7,17-19,21H,4-5,8-15H2,(H,22,23)
InChIKeyLFHPLKRHDKKNCV-UHFFFAOYSA-N
XLogP2.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
CID 103393346
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
benzyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]cyclobutyl]carbamate
CID 103393813
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
CID 120605728
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate (CID 103392907) is benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate is O=C(NC1CC(NCCCOCC2CCCO2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate?
The InChIKey is LFHPLKRHDKKNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-20(26-14-16-6-2-1-3-7-16)22-18-12-17(13-18)21-9-5-10-24-15-19-8-4-11-25-19/h1-3,6-7,17-19,21H,4-5,8-15H2,(H,22,23).
What are the key properties of benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate?
benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).