5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide

C14H26N2O3 — CID 88917606

IUPAC5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide
SMILESCC(C)C(=O)CCC(=O)NCCN(C)C(=O)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)6-7-13(18)15-8-9-16(5)14(19)11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyOGXDSKFSFDWEAA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds8

About 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide

5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide (PubChem CID 88917606) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide.

Molecular Properties

Compound Name5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide
PubChem CID88917606
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide
SMILESCC(C)C(=O)CCC(=O)NCCN(C)C(=O)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)6-7-13(18)15-8-9-16(5)14(19)11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyOGXDSKFSFDWEAA-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
N',N',5-trimethyl-4-oxohexanehydrazide
CID 59531474
N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen
CID 170620722
CID 168891701
CID 168891701
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide?
The IUPAC name of 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide (CID 88917606) is 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide.
What is the SMILES notation for 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide?
The canonical SMILES for 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide is CC(C)C(=O)CCC(=O)NCCN(C)C(=O)C(C)C.
What is the InChIKey of 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide?
The InChIKey is OGXDSKFSFDWEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(17)6-7-13(18)15-8-9-16(5)14(19)11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide?
5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide has a molecular weight of 270.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide is sourced from PubChem (CID 88917606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).