5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide

C15H29NO2 — CID 159197517

IUPAC5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide
SMILESCC(C)CNC(=O)CC(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)7-13(15(18)12(5)6)8-14(17)16-9-11(3)4/h10-13H,7-9H2,1-6H3,(H,16,17)
InChIKeyPCULWIGJHUSDJK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.04
Rot. Bonds8

About 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide

5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide (PubChem CID 159197517) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide.

Molecular Properties

Compound Name5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide
PubChem CID159197517
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide
SMILESCC(C)CNC(=O)CC(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)7-13(15(18)12(5)6)8-14(17)16-9-11(3)4/h10-13H,7-9H2,1-6H3,(H,16,17)
InChIKeyPCULWIGJHUSDJK-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethylamino(sulfanyl)methyl]-4,6-dimethyl-N-(2-methylpropyl)-5-oxoheptanamide
CID 123400959
3-cyano-N-(2-methylpropyl)butanamide
CID 82111297
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
N-(2-chloro-4-methylpentyl)-3-methylbutanamide
CID 107157282
(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
CID 102254878
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
(2S)-2,4-bis(2-methylpropylamino)-4-oxobutanoic acid
CID 2211191
bis(2,5-dimethylhexan-3-one);2,4-dimethylpentane;2,4-dimethylpentan-3-one
CID 167659138
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
2,7-dimethyloctan-4-one;methane;3-methyl-N-(2-methylpropyl)butanamide
CID 158240408
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide?
The IUPAC name of 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide (CID 159197517) is 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide.
What is the SMILES notation for 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide?
The canonical SMILES for 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide is CC(C)CNC(=O)CC(CC(C)C)C(=O)C(C)C.
What is the InChIKey of 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide?
The InChIKey is PCULWIGJHUSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)7-13(15(18)12(5)6)8-14(17)16-9-11(3)4/h10-13H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide?
5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide has a molecular weight of 255.40 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide is sourced from PubChem (CID 159197517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).