4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide

C14H26N2O3 — CID 66236302

IUPAC4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)9-16-12(17)10-7-19-8-11(10)15/h10-11,18H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyZGHLGOKHLJWMLU-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.41
Rot. Bonds3

About 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide

4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide (PubChem CID 66236302) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide
PubChem CID66236302
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)9-16-12(17)10-7-19-8-11(10)15/h10-11,18H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyZGHLGOKHLJWMLU-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide (CID 66236302) is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide is CC1(C)CCC(O)(CNC(=O)C2COCC2N)CC1.
What is the InChIKey of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide?
The InChIKey is ZGHLGOKHLJWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)9-16-12(17)10-7-19-8-11(10)15/h10-11,18H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide?
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66236302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).