benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate

C19H28N2O3 — CID 103392919

IUPACbenzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCOCC2CC2)C1)OCc1ccccc1
InChIInChI=1S/C19H28N2O3/c22-19(24-14-15-5-2-1-3-6-15)21-18-11-17(12-18)20-9-4-10-23-13-16-7-8-16/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,22)
InChIKeyRWDIQUIGRDZFGM-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.85
Rot. Bonds10

About benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate

benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate (PubChem CID 103392919) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
PubChem CID103392919
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCOCC2CC2)C1)OCc1ccccc1
InChIInChI=1S/C19H28N2O3/c22-19(24-14-15-5-2-1-3-6-15)21-18-11-17(12-18)20-9-4-10-23-13-16-7-8-16/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,22)
InChIKeyRWDIQUIGRDZFGM-UHFFFAOYSA-N
XLogP2.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392907
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-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate (CID 103392919) is benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate is O=C(NC1CC(NCCCOCC2CC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate?
The InChIKey is RWDIQUIGRDZFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(24-14-15-5-2-1-3-6-15)21-18-11-17(12-18)20-9-4-10-23-13-16-7-8-16/h1-3,5-6,16-18,20H,4,7-14H2,(H,21,22).
What are the key properties of benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate?
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).