4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide

C13H26N2O2 — CID 66264615

IUPAC4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H26N2O2/c1-5-9(2)6-10(3)15-12(16)13(4)8-17-7-11(13)14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyKCOJHODVFRABFQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide

4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide (PubChem CID 66264615) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
PubChem CID66264615
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C13H26N2O2/c1-5-9(2)6-10(3)15-12(16)13(4)8-17-7-11(13)14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyKCOJHODVFRABFQ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide (CID 66264615) is 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide is CCC(C)CC(C)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide?
The InChIKey is KCOJHODVFRABFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-9(2)6-10(3)15-12(16)13(4)8-17-7-11(13)14/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66264615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).