N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide

C15H29NO2 — CID 167639018

IUPACN-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)C(NC(=O)CCC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)14(11(3)4)16-13(18)9-8-12(17)15(5,6)7/h10-11,14H,8-9H2,1-7H3,(H,16,18)
InChIKeyGEXAPFPLLSGFIH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide

N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide (PubChem CID 167639018) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide
PubChem CID167639018
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)C(NC(=O)CCC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)14(11(3)4)16-13(18)9-8-12(17)15(5,6)7/h10-11,14H,8-9H2,1-7H3,(H,16,18)
InChIKeyGEXAPFPLLSGFIH-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
8,8-dimethyl-4,7-dioxononanoic acid
CID 121218227
4-(tert-butylamino)-N-(2-iodo-2,8,8-trimethyl-3,7-dioxononan-4-yl)-6,6-dimethyl-5-oxoheptanamide
CID 166965355
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[6-(tert-butylamino)-1-oxo-1-[(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)amino]hexan-2-yl]-5,5-dimethyl-4-oxohexanamide
CID 171419319
1-[(4,4-dimethyl-3-oxopentyl)disulfanyl]-4,4-dimethylpentan-3-one
CID 118403333
2,4-dimethyl-3-(pentanoylamino)pentanoic acid
CID 87726782
tert-butyl N-[(3S,4R)-4-hydroxy-2,7,7-trimethyl-6-oxooctan-3-yl]carbamate
CID 6917568
(2R)-6,6-dimethyl-5-oxo-2-propan-2-ylheptanal
CID 10997984
N,7,7-trimethyl-6-oxooctanamide
CID 149454970

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide (CID 167639018) is N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide is CC(C)C(NC(=O)CCC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide?
The InChIKey is GEXAPFPLLSGFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)14(11(3)4)16-13(18)9-8-12(17)15(5,6)7/h10-11,14H,8-9H2,1-7H3,(H,16,18).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide?
N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide has a molecular weight of 255.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 167639018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).