N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C17H26N2O4 — CID 170503675

IUPACN,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)N(C)CCC(=O)NC)c(=O)o1
InChIInChI=1S/C17H26N2O4/c1-6-7-11(2)13-10-12(3)15(17(22)23-13)16(21)19(5)9-8-14(20)18-4/h10-11H,6-9H2,1-5H3,(H,18,20)
InChIKeyOTYVTNLCDFCVKY-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.06
Rot. Bonds7

About N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170503675) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170503675
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)N(C)CCC(=O)NC)c(=O)o1
InChIInChI=1S/C17H26N2O4/c1-6-7-11(2)13-10-12(3)15(17(22)23-13)16(21)19(5)9-8-14(20)18-4/h10-11H,6-9H2,1-5H3,(H,18,20)
InChIKeyOTYVTNLCDFCVKY-UHFFFAOYSA-N
XLogP2.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170503675) is N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)N(C)CCC(=O)NC)c(=O)o1.
What is the InChIKey of N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is OTYVTNLCDFCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-7-11(2)13-10-12(3)15(17(22)23-13)16(21)19(5)9-8-14(20)18-4/h10-11H,6-9H2,1-5H3,(H,18,20).
What are the key properties of N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170503675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).