4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide

C17H34N2O2 — CID 138625475

IUPAC4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide
SMILESCC(C)CCC(=O)N(C)CCC(C)CCC(=O)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)7-10-17(21)19(6)12-11-15(5)8-9-16(20)18-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyJMJWZPTXOXFRNU-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.21
Rot. Bonds10

About 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide

4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide (PubChem CID 138625475) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide
PubChem CID138625475
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide
SMILESCC(C)CCC(=O)N(C)CCC(C)CCC(=O)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)7-10-17(21)19(6)12-11-15(5)8-9-16(20)18-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyJMJWZPTXOXFRNU-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide?
The IUPAC name of 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide (CID 138625475) is 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide.
What is the SMILES notation for 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide?
The canonical SMILES for 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide is CC(C)CCC(=O)N(C)CCC(C)CCC(=O)NC(C)C.
What is the InChIKey of 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide?
The InChIKey is JMJWZPTXOXFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)7-10-17(21)19(6)12-11-15(5)8-9-16(20)18-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20).
What are the key properties of 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide?
4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide has a molecular weight of 298.47 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[methyl(4-methylpentanoyl)amino]-N-propan-2-ylhexanamide is sourced from PubChem (CID 138625475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).