N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide

C13H25NO2 — CID 89459386

IUPACN-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide
SMILESCC(C)CC(NC(=[18O])C(C)C)C(=O)C(C)C
InChIInChI=1S/C13H25NO2/c1-8(2)7-11(12(15)9(3)4)14-13(16)10(5)6/h8-11H,7H2,1-6H3,(H,14,16)/i16+2
InChIKeyLHKFHBBGCIIGPF-VPMSBSONSA-N
MW229.35 g/mol
LogP2.40
Rot. Bonds6

About N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide

N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide (PubChem CID 89459386) has the molecular formula C13H25NO2 and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide
PubChem CID89459386
Molecular FormulaC13H25NO2
Molecular Weight229.35 g/mol
Exact Mass229.19
IUPAC NameN-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide
SMILESCC(C)CC(NC(=[18O])C(C)C)C(=O)C(C)C
InChIInChI=1S/C13H25NO2/c1-8(2)7-11(12(15)9(3)4)14-13(16)10(5)6/h8-11H,7H2,1-6H3,(H,14,16)/i16+2
InChIKeyLHKFHBBGCIIGPF-VPMSBSONSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
CID 169190270
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-4-methyl-2-[(3-methyl-2-oxobutanoyl)amino]pentanoic acid
CID 14884359
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-4-methylpentanoate
CID 11667830
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
2-[[(E)-but-2-enoyl]amino]-4-methylpentanoic acid
CID 24699814

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide?
The IUPAC name of N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide (CID 89459386) is N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide.
What is the SMILES notation for N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide?
The canonical SMILES for N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide is CC(C)CC(NC(=[18O])C(C)C)C(=O)C(C)C.
What is the InChIKey of N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide?
The InChIKey is LHKFHBBGCIIGPF-VPMSBSONSA-N. The full InChI is InChI=1S/C13H25NO2/c1-8(2)7-11(12(15)9(3)4)14-13(16)10(5)6/h8-11H,7H2,1-6H3,(H,14,16)/i16+2.
What are the key properties of N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide?
N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide has a molecular weight of 229.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-oxoheptan-4-yl)-2-methylpropan(18O)amide is sourced from PubChem (CID 89459386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).