4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide

C12H22N2O2 — CID 66236280

IUPAC4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide
SMILESCC1(NC(=O)C2COCC2N)CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-2-4-6-12)14-11(15)9-7-16-8-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyFFPKWCZABCZCCI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide

4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide (PubChem CID 66236280) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide
PubChem CID66236280
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide
SMILESCC1(NC(=O)C2COCC2N)CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-2-4-6-12)14-11(15)9-7-16-8-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyFFPKWCZABCZCCI-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide (CID 66236280) is 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide is CC1(NC(=O)C2COCC2N)CCCCC1.
What is the InChIKey of 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide?
The InChIKey is FFPKWCZABCZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-3-2-4-6-12)14-11(15)9-7-16-8-10(9)13/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide?
4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylcyclohexyl)oxolane-3-carboxamide is sourced from PubChem (CID 66236280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).