ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide

C14H27NO3 — CID 178048338

IUPACethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide
SMILESCC.CC(=O)CCCC(=O)N(C)CC(=O)C(C)C
InChIInChI=1S/C12H21NO3.C2H6/c1-9(2)11(15)8-13(4)12(16)7-5-6-10(3)14;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyKKNCRHQMNFQBQQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.46
Rot. Bonds7

About ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide

ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide (PubChem CID 178048338) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide
PubChem CID178048338
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide
SMILESCC.CC(=O)CCCC(=O)N(C)CC(=O)C(C)C
InChIInChI=1S/C12H21NO3.C2H6/c1-9(2)11(15)8-13(4)12(16)7-5-6-10(3)14;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyKKNCRHQMNFQBQQ-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 178008256
2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
CID 170610348
N,2-dimethyl-N-(3-methyl-2-oxobutyl)propanamide
CID 58885009
14-methylpentadecane-2,13-dione
CID 88544438
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
2-[8-fluorononanoyl(methyl)amino]acetic acid
CID 101279800
N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
CID 176691371
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide?
The IUPAC name of ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide (CID 178048338) is ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide.
What is the SMILES notation for ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide?
The canonical SMILES for ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide is CC.CC(=O)CCCC(=O)N(C)CC(=O)C(C)C.
What is the InChIKey of ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide?
The InChIKey is KKNCRHQMNFQBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3.C2H6/c1-9(2)11(15)8-13(4)12(16)7-5-6-10(3)14;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide?
ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide has a molecular weight of 257.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide is sourced from PubChem (CID 178048338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).