N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C15H21NO4 — CID 82064570

IUPACN-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21NO4/c1-11-15(13(17)8-9-19-11)20-10-14(18)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyNJKSGULEXOOSKT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064570) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064570
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21NO4/c1-11-15(13(17)8-9-19-11)20-10-14(18)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyNJKSGULEXOOSKT-UHFFFAOYSA-N
XLogP2.12
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepane-1-carbonyl)-5-methoxy-4H-pyran-4-one
CID 30860237
N-cyclohexyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537841
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
CID 82063964
N-cyclohexyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064549
3-[2-(Azepan-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
CID 82064554
N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064556
2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
CID 82064558
N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064560
N-cyclohexyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064571
N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064576
N-[(1S)-1-cyclohexylethyl]-5-methoxy-N-methyl-4-oxopyran-2-carboxamide
CID 121590047

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064570) is N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is Cc1occc(=O)c1OCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is NJKSGULEXOOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-15(13(17)8-9-19-11)20-10-14(18)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 279.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).