N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane

C15H29NO3 — CID 176691371

IUPACN-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
SMILESCC.CCC(=O)N(CCCCC(=O)C(C)C)C(C)=O
InChIInChI=1S/C13H23NO3.C2H6/c1-5-13(17)14(11(4)15)9-7-6-8-12(16)10(2)3;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyCELKQWVLYNGMMU-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.19
Rot. Bonds7

About N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane

N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane (PubChem CID 176691371) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane.

Molecular Properties

Compound NameN-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
PubChem CID176691371
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
SMILESCC.CCC(=O)N(CCCCC(=O)C(C)C)C(C)=O
InChIInChI=1S/C13H23NO3.C2H6/c1-5-13(17)14(11(4)15)9-7-6-8-12(16)10(2)3;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyCELKQWVLYNGMMU-UHFFFAOYSA-N
XLogP3.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

14-methylpentadecane-2,13-dione
CID 88544438
12-methyltridecane-3,4,11-trione
CID 22953560
2-methylhexadecan-3-one
CID 58030381
1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
CID 134294536
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
2,8-dimethylnon-8-en-3-one
CID 114477246
6-bromo-2-methylhexan-3-one
CID 12643721
2-methylheptan-3-one;hydrate
CID 176897102
N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
CID 145339441
2,19-dimethylhenicosane-3,18-dione
CID 138498522
N-formyl-3-methyl-N-(7-methyl-6-oxooctyl)butanamide
CID 146358733
N-acetyl-N-decylacetamide
CID 57029087

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane?
The IUPAC name of N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane (CID 176691371) is N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane.
What is the SMILES notation for N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane?
The canonical SMILES for N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane is CC.CCC(=O)N(CCCCC(=O)C(C)C)C(C)=O.
What is the InChIKey of N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane?
The InChIKey is CELKQWVLYNGMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3.C2H6/c1-5-13(17)14(11(4)15)9-7-6-8-12(16)10(2)3;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane?
N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane has a molecular weight of 271.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane is sourced from PubChem (CID 176691371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).