N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate

C12H22NO3- — CID 57369876

IUPACN-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])C1(C)CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16)/p-1
InChIKeyZJAJWKOYZDYHLQ-UHFFFAOYSA-M
MW228.31 g/mol
LogP1.12
Rot. Bonds1

About N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate

N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate (PubChem CID 57369876) has the molecular formula C12H22NO3- and a molecular weight of 228.31 g/mol. Its IUPAC name is N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate
PubChem CID57369876
Molecular FormulaC12H22NO3-
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])C1(C)CCC(O)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16)/p-1
InChIKeyZJAJWKOYZDYHLQ-UHFFFAOYSA-M
XLogP1.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate?
The IUPAC name of N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate (CID 57369876) is N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate.
What is the SMILES notation for N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate?
The canonical SMILES for N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate is CC(C)(C)N(C(=O)[O-])C1(C)CCC(O)CC1.
What is the InChIKey of N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate?
The InChIKey is ZJAJWKOYZDYHLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)13(10(15)16)12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,15,16)/p-1.
What are the key properties of N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate?
N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate has a molecular weight of 228.31 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate is sourced from PubChem (CID 57369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).