tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate

C17H32N2O3 — CID 107255901

IUPACtert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCOC1CC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19(4)14-8-6-12(7-9-14)18-13-10-15(11-13)21-5/h12-15,18H,6-11H2,1-5H3
InChIKeyMZRDJOVYFCASLB-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds4

About tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate (PubChem CID 107255901) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
PubChem CID107255901
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCOC1CC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19(4)14-8-6-12(7-9-14)18-13-10-15(11-13)21-5/h12-15,18H,6-11H2,1-5H3
InChIKeyMZRDJOVYFCASLB-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
CID 104871326
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate (CID 107255901) is tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate is COC1CC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate?
The InChIKey is MZRDJOVYFCASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19(4)14-8-6-12(7-9-14)18-13-10-15(11-13)21-5/h12-15,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate has a molecular weight of 312.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 107255901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).