N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide

C18H35NO2 — CID 144653893

IUPACN-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide
SMILESCCC(C)N(CC(C)C)C(=O)C(C(C)C)C1CCCOC1
InChIInChI=1S/C18H35NO2/c1-7-15(6)19(11-13(2)3)18(20)17(14(4)5)16-9-8-10-21-12-16/h13-17H,7-12H2,1-6H3
InChIKeyBIAKBFVTWWFFLJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.97
Rot. Bonds7

About N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide

N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide (PubChem CID 144653893) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide
PubChem CID144653893
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide
SMILESCCC(C)N(CC(C)C)C(=O)C(C(C)C)C1CCCOC1
InChIInChI=1S/C18H35NO2/c1-7-15(6)19(11-13(2)3)18(20)17(14(4)5)16-9-8-10-21-12-16/h13-17H,7-12H2,1-6H3
InChIKeyBIAKBFVTWWFFLJ-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.97
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 N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide?
The IUPAC name of N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide (CID 144653893) is N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide.
What is the SMILES notation for N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide?
The canonical SMILES for N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide is CCC(C)N(CC(C)C)C(=O)C(C(C)C)C1CCCOC1.
What is the InChIKey of N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide?
The InChIKey is BIAKBFVTWWFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-7-15(6)19(11-13(2)3)18(20)17(14(4)5)16-9-8-10-21-12-16/h13-17H,7-12H2,1-6H3.
What are the key properties of N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide?
N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide has a molecular weight of 297.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-N-(2-methylpropyl)-2-(oxan-3-yl)butanamide is sourced from PubChem (CID 144653893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).