3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide

C18H35NO2 — CID 144653956

IUPAC3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide
SMILESCCCN(C(=O)C(C(C)C)C1CCCOC1)C(CC)CC
InChIInChI=1S/C18H35NO2/c1-6-11-19(16(7-2)8-3)18(20)17(14(4)5)15-10-9-12-21-13-15/h14-17H,6-13H2,1-5H3
InChIKeyDGTXTAZPKCKNEJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.11
Rot. Bonds8

About 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide

3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide (PubChem CID 144653956) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide
PubChem CID144653956
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide
SMILESCCCN(C(=O)C(C(C)C)C1CCCOC1)C(CC)CC
InChIInChI=1S/C18H35NO2/c1-6-11-19(16(7-2)8-3)18(20)17(14(4)5)15-10-9-12-21-13-15/h14-17H,6-13H2,1-5H3
InChIKeyDGTXTAZPKCKNEJ-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-6-(7-methyl-6-oxooctoxy)-N-propan-2-ylhexanamide
CID 58223984
3-methyl-1-[(5S)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]-2-(oxan-4-yl)butan-1-one
CID 89630809
1-[(5S)-3-(methoxymethyl)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-(oxan-4-yl)butan-1-one
CID 89630889
1-[(5S)-2,3-dimethyl-5-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-(oxan-4-yl)butan-1-one
CID 89630936
1-[(2S)-4-ethyl-2-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-(oxan-4-yl)butan-1-one
CID 89910697
1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one
CID 90244639
1-[(2R)-2,5-diethylpyrrolidin-1-yl]-2-(oxan-3-yl)butan-1-one
CID 90244695
1-[(2R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-3-yl)butan-1-one
CID 90244713
1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-3-yl)butan-1-one
CID 90244716
3-methyl-2-(oxan-3-yl)-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 90244739
3-methyl-1-[(5S)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]-2-(oxan-3-yl)butan-1-one
CID 90244745
3-methyl-1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-(oxan-3-yl)butan-1-one
CID 90244747

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide?
The IUPAC name of 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide (CID 144653956) is 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide.
What is the SMILES notation for 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide?
The canonical SMILES for 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide is CCCN(C(=O)C(C(C)C)C1CCCOC1)C(CC)CC.
What is the InChIKey of 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide?
The InChIKey is DGTXTAZPKCKNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-11-19(16(7-2)8-3)18(20)17(14(4)5)15-10-9-12-21-13-15/h14-17H,6-13H2,1-5H3.
What are the key properties of 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide?
3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide has a molecular weight of 297.48 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxan-3-yl)-N-pentan-3-yl-N-propylbutanamide is sourced from PubChem (CID 144653956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).