methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate

C16H24N2O4 — CID 155198395

IUPACmethyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
SMILESCCCOC1(O)CCC(NC(=O)OC)(c2ccccn2)CC1
InChIInChI=1S/C16H24N2O4/c1-3-12-22-16(20)9-7-15(8-10-16,18-14(19)21-2)13-6-4-5-11-17-13/h4-6,11,20H,3,7-10,12H2,1-2H3,(H,18,19)
InChIKeyVVKNXVDAQKCLLB-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds5

About methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate

methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate (PubChem CID 155198395) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
PubChem CID155198395
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
SMILESCCCOC1(O)CCC(NC(=O)OC)(c2ccccn2)CC1
InChIInChI=1S/C16H24N2O4/c1-3-12-22-16(20)9-7-15(8-10-16,18-14(19)21-2)13-6-4-5-11-17-13/h4-6,11,20H,3,7-10,12H2,1-2H3,(H,18,19)
InChIKeyVVKNXVDAQKCLLB-UHFFFAOYSA-N
XLogP2.32
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate?
The IUPAC name of methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate (CID 155198395) is methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate?
The canonical SMILES for methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate is CCCOC1(O)CCC(NC(=O)OC)(c2ccccn2)CC1.
What is the InChIKey of methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate?
The InChIKey is VVKNXVDAQKCLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-12-22-16(20)9-7-15(8-10-16,18-14(19)21-2)13-6-4-5-11-17-13/h4-6,11,20H,3,7-10,12H2,1-2H3,(H,18,19).
What are the key properties of methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate?
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate is sourced from PubChem (CID 155198395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).