tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate

C17H33NO3 — CID 67726533

IUPACtert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate
SMILESCCCCC(O)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-6-7-8-15(19)13-9-11-14(12-10-13)18(5)16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3
InChIKeyFCTLCXFFZTXVEB-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate (PubChem CID 67726533) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate
PubChem CID67726533
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate
SMILESCCCCC(O)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-6-7-8-15(19)13-9-11-14(12-10-13)18(5)16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3
InChIKeyFCTLCXFFZTXVEB-UHFFFAOYSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate (CID 67726533) is tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate is CCCCC(O)C1CCC(N(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate?
The InChIKey is FCTLCXFFZTXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-6-7-8-15(19)13-9-11-14(12-10-13)18(5)16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate has a molecular weight of 299.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-hydroxypentyl)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 67726533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).