4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide

C12H24N2O2 — CID 134505355

IUPAC4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(C)C(=O)C1(N(C)C)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14(5)11(15)12(13(3)4)6-8-16-9-7-12/h10H,6-9H2,1-5H3
InChIKeyWLLXJJBHRJJIAS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds3

About 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide

4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide (PubChem CID 134505355) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide
PubChem CID134505355
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide
SMILESCC(C)N(C)C(=O)C1(N(C)C)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14(5)11(15)12(13(3)4)6-8-16-9-7-12/h10H,6-9H2,1-5H3
InChIKeyWLLXJJBHRJJIAS-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide (CID 134505355) is 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide is CC(C)N(C)C(=O)C1(N(C)C)CCOCC1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide?
The InChIKey is WLLXJJBHRJJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14(5)11(15)12(13(3)4)6-8-16-9-7-12/h10H,6-9H2,1-5H3.
What are the key properties of 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide?
4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 134505355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).