N-(5-methyl-2-oxohexan-3-yl)pentanamide

C12H23NO2 — CID 123525185

IUPACN-(5-methyl-2-oxohexan-3-yl)pentanamide
SMILESCCCCC(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C12H23NO2/c1-5-6-7-12(15)13-11(10(4)14)8-9(2)3/h9,11H,5-8H2,1-4H3,(H,13,15)
InChIKeyVPGVRSYSFZPQBD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.30
Rot. Bonds7

About N-(5-methyl-2-oxohexan-3-yl)pentanamide

N-(5-methyl-2-oxohexan-3-yl)pentanamide (PubChem CID 123525185) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(5-methyl-2-oxohexan-3-yl)pentanamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxohexan-3-yl)pentanamide
PubChem CID123525185
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(5-methyl-2-oxohexan-3-yl)pentanamide
SMILESCCCCC(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C12H23NO2/c1-5-6-7-12(15)13-11(10(4)14)8-9(2)3/h9,11H,5-8H2,1-4H3,(H,13,15)
InChIKeyVPGVRSYSFZPQBD-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
methyl 4-methyl-2-(tridecanoylamino)pentanoate
CID 19368983
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
(7Z,10Z,13Z,16Z,19Z)-N-(5-methyl-2-oxohexan-3-yl)docosa-7,10,13,16,19-pentaenamide
CID 129181068
N-[(2S)-4-methyl-1-(octylamino)-1-oxopentan-2-yl]octadecanamide
CID 135364151
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]docosanamide
CID 135364067
N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364086
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364087
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-oxohexan-3-yl)pentanamide?
The IUPAC name of N-(5-methyl-2-oxohexan-3-yl)pentanamide (CID 123525185) is N-(5-methyl-2-oxohexan-3-yl)pentanamide.
What is the SMILES notation for N-(5-methyl-2-oxohexan-3-yl)pentanamide?
The canonical SMILES for N-(5-methyl-2-oxohexan-3-yl)pentanamide is CCCCC(=O)NC(CC(C)C)C(C)=O.
What is the InChIKey of N-(5-methyl-2-oxohexan-3-yl)pentanamide?
The InChIKey is VPGVRSYSFZPQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-7-12(15)13-11(10(4)14)8-9(2)3/h9,11H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-(5-methyl-2-oxohexan-3-yl)pentanamide?
N-(5-methyl-2-oxohexan-3-yl)pentanamide has a molecular weight of 213.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxohexan-3-yl)pentanamide is sourced from PubChem (CID 123525185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).