13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen

C18H35NO3 — CID 169209715

IUPAC13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
SMILESCC(=O)CNC(=O)CCCCCCCCCCC(=O)C(C)C.[H][H]
InChIInChI=1S/C18H33NO3.H2/c1-15(2)17(21)12-10-8-6-4-5-7-9-11-13-18(22)19-14-16(3)20;/h15H,4-14H2,1-3H3,(H,19,22);1H
InChIKeyCTRKHIXPRWSTGL-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.06
Rot. Bonds14

About 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen

13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen (PubChem CID 169209715) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen.

Molecular Properties

Compound Name13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
PubChem CID169209715
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
SMILESCC(=O)CNC(=O)CCCCCCCCCCC(=O)C(C)C.[H][H]
InChIInChI=1S/C18H33NO3.H2/c1-15(2)17(21)12-10-8-6-4-5-7-9-11-13-18(22)19-14-16(3)20;/h15H,4-14H2,1-3H3,(H,19,22);1H
InChIKeyCTRKHIXPRWSTGL-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
14-methylpentadecane-2,13-dione
CID 88544438
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-ethyl-6-oxoheptanamide;7-methyl-6-oxo-N-pentyloctanamide;molecular hydrogen;propane
CID 145408091
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide
CID 58223951

Frequently Asked Questions

What is the IUPAC name of 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen?
The IUPAC name of 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen (CID 169209715) is 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen.
What is the SMILES notation for 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen?
The canonical SMILES for 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen is CC(=O)CNC(=O)CCCCCCCCCCC(=O)C(C)C.[H][H].
What is the InChIKey of 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen?
The InChIKey is CTRKHIXPRWSTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3.H2/c1-15(2)17(21)12-10-8-6-4-5-7-9-11-13-18(22)19-14-16(3)20;/h15H,4-14H2,1-3H3,(H,19,22);1H.
What are the key properties of 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen?
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen has a molecular weight of 313.48 g/mol, XLogP of 4.06, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen is sourced from PubChem (CID 169209715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).