N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide

C20H37NO3 — CID 159659971

IUPACN,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
SMILESCCC(=O)C(C)(C)CCCCC(=O)CCCCC(C)(C)C(=O)NC
InChIInChI=1S/C20H37NO3/c1-7-17(23)19(2,3)14-10-8-12-16(22)13-9-11-15-20(4,5)18(24)21-6/h7-15H2,1-6H3,(H,21,24)
InChIKeyRSFSXHBGQAWWRY-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.45
Rot. Bonds13

About N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide

N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide (PubChem CID 159659971) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide.

Molecular Properties

Compound NameN,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
PubChem CID159659971
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC NameN,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
SMILESCCC(=O)C(C)(C)CCCCC(=O)CCCCC(C)(C)C(=O)NC
InChIInChI=1S/C20H37NO3/c1-7-17(23)19(2,3)14-10-8-12-16(22)13-9-11-15-20(4,5)18(24)21-6/h7-15H2,1-6H3,(H,21,24)
InChIKeyRSFSXHBGQAWWRY-UHFFFAOYSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.45
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

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4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one
CID 89150814
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
CID 143079876
ethyl 5,5-dimethyl-6-oxooctanoate
CID 101191402
8-methoxy-8-methylnonan-3-one
CID 103037503
N-ethyl-4,4-dimethyl-5-oxoheptanamide
CID 123155383
7-tert-butylsulfanyl-4,4-dimethylheptan-3-one
CID 88908641
3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione
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CID 90785811

Frequently Asked Questions

What is the IUPAC name of N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide?
The IUPAC name of N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide (CID 159659971) is N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide.
What is the SMILES notation for N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide?
The canonical SMILES for N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide is CCC(=O)C(C)(C)CCCCC(=O)CCCCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide?
The InChIKey is RSFSXHBGQAWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-7-17(23)19(2,3)14-10-8-12-16(22)13-9-11-15-20(4,5)18(24)21-6/h7-15H2,1-6H3,(H,21,24).
What are the key properties of N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide?
N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide has a molecular weight of 339.52 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide is sourced from PubChem (CID 159659971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).