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

C12H22N2O2 — CID 64893109

IUPAC3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
SMILESCC1CCCC(NC(=O)C2(N)CCOC2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-10(7-9)14-11(15)12(13)5-6-16-8-12/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyMUSBKCQWGNCTEB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds2

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

3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide (PubChem CID 64893109) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
PubChem CID64893109
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
SMILESCC1CCCC(NC(=O)C2(N)CCOC2)C1
InChIInChI=1S/C12H22N2O2/c1-9-3-2-4-10(7-9)14-11(15)12(13)5-6-16-8-12/h9-10H,2-8,13H2,1H3,(H,14,15)
InChIKeyMUSBKCQWGNCTEB-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 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide (CID 64893109) is 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide is CC1CCCC(NC(=O)C2(N)CCOC2)C1.
What is the InChIKey of 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide?
The InChIKey is MUSBKCQWGNCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-3-2-4-10(7-9)14-11(15)12(13)5-6-16-8-12/h9-10H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide?
3-amino-N-(3-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 3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide is sourced from PubChem (CID 64893109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).