tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid

C16H24N2O3 — CID 66743508

IUPACtert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14/h8-13H,4-7H2,1-3H3,(H,19,20)
InChIKeyVDPKRLXQWCBSCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid

tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid (PubChem CID 66743508) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid
PubChem CID66743508
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14/h8-13H,4-7H2,1-3H3,(H,19,20)
InChIKeyVDPKRLXQWCBSCN-UHFFFAOYSA-N
XLogP3.55
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid?
The IUPAC name of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid (CID 66743508) is tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid.
What is the SMILES notation for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid?
The canonical SMILES for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1.
What is the InChIKey of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid?
The InChIKey is VDPKRLXQWCBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14/h8-13H,4-7H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid?
tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid has a molecular weight of 292.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid is sourced from PubChem (CID 66743508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).