4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide

C12H22N2O3 — CID 66250579

IUPAC4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCC(O)CC2)COCC1N
InChIInChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14-8-2-4-9(15)5-3-8/h8-10,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyCOVATMSBMHJNAD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.23
Rot. Bonds2

About 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide

4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250579) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide
PubChem CID66250579
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCC(O)CC2)COCC1N
InChIInChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14-8-2-4-9(15)5-3-8/h8-10,15H,2-7,13H2,1H3,(H,14,16)
InChIKeyCOVATMSBMHJNAD-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide (CID 66250579) is 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NC2CCC(O)CC2)COCC1N.
What is the InChIKey of 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide?
The InChIKey is COVATMSBMHJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(7-17-6-10(12)13)11(16)14-8-2-4-9(15)5-3-8/h8-10,15H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxycyclohexyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).