tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate

C17H31NO3 — CID 155630413

IUPACtert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
SMILESCC1CCC(N(C(=O)OC(C)(C)C)C2CCOCC2)CC1
InChIInChI=1S/C17H31NO3/c1-13-5-7-14(8-6-13)18(15-9-11-20-12-10-15)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyDMBNDMZNFDOBHL-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.98
Rot. Bonds2

About tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate

tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate (PubChem CID 155630413) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
PubChem CID155630413
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
SMILESCC1CCC(N(C(=O)OC(C)(C)C)C2CCOCC2)CC1
InChIInChI=1S/C17H31NO3/c1-13-5-7-14(8-6-13)18(15-9-11-20-12-10-15)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyDMBNDMZNFDOBHL-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate
CID 11119597
(5S)-5-butyl-3-(oxan-4-yl)-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 57973921
3-(4-Methylcyclohexyl)-1,3-oxazinan-2-one
CID 58893242
butyl N-(4-methylcyclohexyl)-N-propylcarbamate
CID 70848960
Tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
2-methylbutan-2-yl N-[2-(oxan-4-yl)ethyl]-N-propan-2-ylcarbamate
CID 117803879
Ethyl 4-(4-methylheptan-4-yloxy)piperidine-1-carboxylate
CID 130278953
tert-butyl N-ethyl-N-(4-methylcyclohexyl)carbamate;hexane
CID 143553801
tert-butyl N-[2-(2,4-dimethyloxan-2-yl)ethyl]-N-ethylcarbamate
CID 144315711
Tert-butyl 4-methoxy-4-(3-methylbutyl)piperidine-1-carboxylate
CID 144431867
tert-butyl N-(oxan-4-yl)-N-[2-(4-oxocyclohexyl)ethyl]carbamate
CID 155680927
tert-butyl N-(3-but-3-ynoxypropyl)-N-(4-methylcyclohexyl)carbamate
CID 156883261

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate (CID 155630413) is tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate is CC1CCC(N(C(=O)OC(C)(C)C)C2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate?
The InChIKey is DMBNDMZNFDOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13-5-7-14(8-6-13)18(15-9-11-20-12-10-15)16(19)21-17(2,3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate?
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate has a molecular weight of 297.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate is sourced from PubChem (CID 155630413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).