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

C13H22N2O2 — CID 66250852

IUPAC4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC(C2CC2)C2CC2)COCC1N
InChIInChI=1S/C13H22N2O2/c1-13(7-17-6-10(13)14)12(16)15-11(8-2-3-8)9-4-5-9/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyCAVVPDOLCKDJSZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.65
Rot. Bonds4

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

4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250852) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
PubChem CID66250852
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NC(C2CC2)C2CC2)COCC1N
InChIInChI=1S/C13H22N2O2/c1-13(7-17-6-10(13)14)12(16)15-11(8-2-3-8)9-4-5-9/h8-11H,2-7,14H2,1H3,(H,15,16)
InChIKeyCAVVPDOLCKDJSZ-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide (CID 66250852) is 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NC(C2CC2)C2CC2)COCC1N.
What is the InChIKey of 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide?
The InChIKey is CAVVPDOLCKDJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(7-17-6-10(13)14)12(16)15-11(8-2-3-8)9-4-5-9/h8-11H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).