tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate

C17H27ClN2O3 — CID 107255728

IUPACtert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C17H27ClN2O3/c1-17(2,3)23-16(21)20(4)13-7-5-12(6-8-13)19-11-14-9-10-15(18)22-14/h9-10,12-13,19H,5-8,11H2,1-4H3
InChIKeyMCZXCODGLHUUGX-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate (PubChem CID 107255728) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate
PubChem CID107255728
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C17H27ClN2O3/c1-17(2,3)23-16(21)20(4)13-7-5-12(6-8-13)19-11-14-9-10-15(18)22-14/h9-10,12-13,19H,5-8,11H2,1-4H3
InChIKeyMCZXCODGLHUUGX-UHFFFAOYSA-N
XLogP4.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[5-(4-chlorophenyl)-2-methoxyphenyl]methylamino]cyclohexyl]-N-methylcarbamate
CID 59683614
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl N-methyl-N-[4-[(2-methyl-5-pyridin-4-ylphenyl)methylamino]cyclohexyl]carbamate
CID 59683602
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
CID 54866594
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
4-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]benzoic acid
CID 166237714
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]phenyl]carbamate
CID 103818486
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate (CID 107255728) is tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(NCc2ccc(Cl)o2)CC1.
What is the InChIKey of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate?
The InChIKey is MCZXCODGLHUUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-17(2,3)23-16(21)20(4)13-7-5-12(6-8-13)19-11-14-9-10-15(18)22-14/h9-10,12-13,19H,5-8,11H2,1-4H3.
What are the key properties of tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate has a molecular weight of 342.87 g/mol, XLogP of 4.20, 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-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 107255728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).