(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide

C14H27NO2 — CID 159888064

IUPAC(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide
SMILESCCC(C)(C)C(=O)CC[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H27NO2/c1-6-14(4,5)12(16)8-7-11(13(15)17)9-10(2)3/h10-11H,6-9H2,1-5H3,(H2,15,17)/t11-/m0/s1
InChIKeyNUJUSAFPDQYHDK-NSHDSACASA-N
MW241.37 g/mol
LogP2.92
Rot. Bonds8

About (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide

(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide (PubChem CID 159888064) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide.

Molecular Properties

Compound Name(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide
PubChem CID159888064
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide
SMILESCCC(C)(C)C(=O)CC[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H27NO2/c1-6-14(4,5)12(16)8-7-11(13(15)17)9-10(2)3/h10-11H,6-9H2,1-5H3,(H2,15,17)/t11-/m0/s1
InChIKeyNUJUSAFPDQYHDK-NSHDSACASA-N
XLogP2.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylpropyl)-8-oxotricosanamide
CID 167580908
2-amino-6,6-dimethyl-5-oxooctanoic acid
CID 126684386
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
2-(2-hydroxypropyl)pentanediamide
CID 23104492
(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide
CID 138646776
2-amino-2,6-dimethylheptan-3-one
CID 116560063
(2S)-2-ethylpentanediamide
CID 146526357
4-carbamoyl-2-pentylnonanoic acid
CID 20609426
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
2,6,6-trimethyloctane-3,5-dione
CID 87814005
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158

Frequently Asked Questions

What is the IUPAC name of (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide?
The IUPAC name of (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide (CID 159888064) is (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide.
What is the SMILES notation for (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide?
The canonical SMILES for (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide is CCC(C)(C)C(=O)CC[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide?
The InChIKey is NUJUSAFPDQYHDK-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-14(4,5)12(16)8-7-11(13(15)17)9-10(2)3/h10-11H,6-9H2,1-5H3,(H2,15,17)/t11-/m0/s1.
What are the key properties of (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide?
(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide has a molecular weight of 241.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide is sourced from PubChem (CID 159888064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).