benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate

C18H26N2O3 — CID 103393492

IUPACbenzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC2(O)CCCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17(23-12-14-6-2-1-3-7-14)20-16-10-15(11-16)19-13-18(22)8-4-5-9-18/h1-3,6-7,15-16,19,22H,4-5,8-13H2,(H,20,21)
InChIKeyJBHUTBKUBUDPEP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.34
Rot. Bonds6

About benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate

benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate (PubChem CID 103393492) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
PubChem CID103393492
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
SMILESO=C(NC1CC(NCC2(O)CCCC2)C1)OCc1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17(23-12-14-6-2-1-3-7-14)20-16-10-15(11-16)19-13-18(22)8-4-5-9-18/h1-3,6-7,15-16,19,22H,4-5,8-13H2,(H,20,21)
InChIKeyJBHUTBKUBUDPEP-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-methyloxolan-2-yl)methylamino]cyclobutyl]carbamate
CID 103393559
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-(thian-2-ylmethylamino)cyclobutyl]carbamate
CID 103393578
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
CID 103393718
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate (CID 103393492) is benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate is O=C(NC1CC(NCC2(O)CCCC2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate?
The InChIKey is JBHUTBKUBUDPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(23-12-14-6-2-1-3-7-14)20-16-10-15(11-16)19-13-18(22)8-4-5-9-18/h1-3,6-7,15-16,19,22H,4-5,8-13H2,(H,20,21).
What are the key properties of benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).