3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide

C13H24N2O2 — CID 64892755

IUPAC3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
SMILESCC(C)CCN(C(=O)C1(N)CCOC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)5-7-15(11-3-4-11)12(16)13(14)6-8-17-9-13/h10-11H,3-9,14H2,1-2H3
InChIKeyIDYLCWCLTFRQMP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide

3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide (PubChem CID 64892755) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
PubChem CID64892755
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide
SMILESCC(C)CCN(C(=O)C1(N)CCOC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)5-7-15(11-3-4-11)12(16)13(14)6-8-17-9-13/h10-11H,3-9,14H2,1-2H3
InChIKeyIDYLCWCLTFRQMP-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide (CID 64892755) is 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide is CC(C)CCN(C(=O)C1(N)CCOC1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide?
The InChIKey is IDYLCWCLTFRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)5-7-15(11-3-4-11)12(16)13(14)6-8-17-9-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide?
3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(3-methylbutyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).