benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate

C18H24N4O2 — CID 103392953

IUPACbenzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCn2ccnc2)C1)OCc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-18(24-13-15-5-2-1-3-6-15)21-17-11-16(12-17)20-7-4-9-22-10-8-19-14-22/h1-3,5-6,8,10,14,16-17,20H,4,7,9,11-13H2,(H,21,23)
InChIKeyHHJICKUKFFPSSA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.32
Rot. Bonds8

About benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate

benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate (PubChem CID 103392953) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
PubChem CID103392953
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namebenzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCCCn2ccnc2)C1)OCc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-18(24-13-15-5-2-1-3-6-15)21-17-11-16(12-17)20-7-4-9-22-10-8-19-14-22/h1-3,5-6,8,10,14,16-17,20H,4,7,9,11-13H2,(H,21,23)
InChIKeyHHJICKUKFFPSSA-UHFFFAOYSA-N
XLogP2.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.32
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-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-(3-sulfamoylpropylamino)cyclobutyl]carbamate
CID 103393346
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl 2-amino-5-imidazol-1-ylpentanoate
CID 57035168
benzyl N-[3-[3-(cyclopropylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392919
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl 3-imidazol-1-ylpropanoate
CID 4800438
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
benzyl N-[3-[3-(oxolan-2-ylmethoxy)propylamino]cyclobutyl]carbamate
CID 103392907
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
CID 103393718

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate (CID 103392953) is benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate is O=C(NC1CC(NCCCn2ccnc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate?
The InChIKey is HHJICKUKFFPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(24-13-15-5-2-1-3-6-15)21-17-11-16(12-17)20-7-4-9-22-10-8-19-14-22/h1-3,5-6,8,10,14,16-17,20H,4,7,9,11-13H2,(H,21,23).
What are the key properties of benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate?
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate has a molecular weight of 328.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).