N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide

C19H39NO — CID 155322176

IUPACN-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide
SMILESCCCC(C)(CC)CC(C)(CC)CNC(=O)CCC(C)C
InChIInChI=1S/C19H39NO/c1-8-13-18(6,9-2)14-19(7,10-3)15-20-17(21)12-11-16(4)5/h16H,8-15H2,1-7H3,(H,20,21)
InChIKeyXFBUEAJSJNWWNS-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.56
Rot. Bonds11

About N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide

N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide (PubChem CID 155322176) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide
PubChem CID155322176
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide
SMILESCCCC(C)(CC)CC(C)(CC)CNC(=O)CCC(C)C
InChIInChI=1S/C19H39NO/c1-8-13-18(6,9-2)14-19(7,10-3)15-20-17(21)12-11-16(4)5/h16H,8-15H2,1-7H3,(H,20,21)
InChIKeyXFBUEAJSJNWWNS-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethyl-2-methylpentyl)-2-methylpropanamide
CID 89177449
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
4,4-dimethyl-N-(3-methylbutyl)hexanamide
CID 162526519
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
CID 178123006
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide?
The IUPAC name of N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide (CID 155322176) is N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide.
What is the SMILES notation for N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide?
The canonical SMILES for N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide is CCCC(C)(CC)CC(C)(CC)CNC(=O)CCC(C)C.
What is the InChIKey of N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide?
The InChIKey is XFBUEAJSJNWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-8-13-18(6,9-2)14-19(7,10-3)15-20-17(21)12-11-16(4)5/h16H,8-15H2,1-7H3,(H,20,21).
What are the key properties of N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide?
N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide has a molecular weight of 297.53 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethyl-2,4-dimethylheptyl)-4-methylpentanamide is sourced from PubChem (CID 155322176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).