4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide

C13H23NO3 — CID 171672707

IUPAC4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCC2CCOCC2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-13(4-8-17-9-5-13)12(15)14-10-11-2-6-16-7-3-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyOLWQZWGREPZSSZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.35
Rot. Bonds3

About 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide

4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide (PubChem CID 171672707) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
PubChem CID171672707
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCC2CCOCC2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-13(4-8-17-9-5-13)12(15)14-10-11-2-6-16-7-3-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyOLWQZWGREPZSSZ-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
CID 70985299
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
N-(cyclopropylmethyl)-4-methyl-1-(1-methylsulfanylethyl)piperidine-4-carboxamide
CID 134557431
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N,4-dimethyloxane-4-carboxamide;ethane
CID 163271298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide (CID 171672707) is 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide is CC1(C(=O)NCC2CCOCC2)CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is OLWQZWGREPZSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(4-8-17-9-5-13)12(15)14-10-11-2-6-16-7-3-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide?
4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 171672707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).