N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide

C26H49NO3 — CID 135302756

IUPACN-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CCC(=O)C(C)(C)CCC(C)(C)C(=O)CCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C26H49NO3/c1-23(2,3)16-15-21(29)26(9,10)18-17-25(7,8)20(28)14-12-11-13-19-27-22(30)24(4,5)6/h11-19H2,1-10H3,(H,27,30)
InChIKeyGLXSHJBMBQRZDO-UHFFFAOYSA-N
MW423.68 g/mol
LogP6.51
Rot. Bonds13

About N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide

N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide (PubChem CID 135302756) has the molecular formula C26H49NO3 and a molecular weight of 423.68 g/mol. Its IUPAC name is N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide
PubChem CID135302756
Molecular FormulaC26H49NO3
Molecular Weight423.68 g/mol
Exact Mass423.37
IUPAC NameN-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)CCC(=O)C(C)(C)CCC(C)(C)C(=O)CCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C26H49NO3/c1-23(2,3)16-15-21(29)26(9,10)18-17-25(7,8)20(28)14-12-11-13-19-27-22(30)24(4,5)6/h11-19H2,1-10H3,(H,27,30)
InChIKeyGLXSHJBMBQRZDO-UHFFFAOYSA-N
XLogP6.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.68
LogP ≤ 56.51
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

N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
4,4-dimethyl-10-(methylamino)decan-5-one
CID 130267652
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
CID 164953894
6-(2,2-dimethylpropanoylamino)-2,2-dimethyl-N-propan-2-ylhexanamide
CID 134575982
N-(5-cyclobutyl-5-oxopentyl)-2,2-dimethylpropanamide
CID 15883436

Frequently Asked Questions

What is the IUPAC name of N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide (CID 135302756) is N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide is CC(C)(C)CCC(=O)C(C)(C)CCC(C)(C)C(=O)CCCCCNC(=O)C(C)(C)C.
What is the InChIKey of N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide?
The InChIKey is GLXSHJBMBQRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO3/c1-23(2,3)16-15-21(29)26(9,10)18-17-25(7,8)20(28)14-12-11-13-19-27-22(30)24(4,5)6/h11-19H2,1-10H3,(H,27,30).
What are the key properties of N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide?
N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide has a molecular weight of 423.68 g/mol, XLogP of 6.51, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7,10,10,14,14-hexamethyl-6,11-dioxopentadecyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 135302756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).