N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide

C26H43NO2 — CID 10476188

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H43NO2/c1-6-7-8-9-10-11-12-13-14-16-22(28)19-25(29)27-26-23(20(2)3)17-15-18-24(26)21(4)5/h15,17-18,20-21H,6-14,16,19H2,1-5H3,(H,27,29)
InChIKeyUDIKGVCXWDWZNY-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.75
Rot. Bonds15

About N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide

N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide (PubChem CID 10476188) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide
PubChem CID10476188
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H43NO2/c1-6-7-8-9-10-11-12-13-14-16-22(28)19-25(29)27-26-23(20(2)3)17-15-18-24(26)21(4)5/h15,17-18,20-21H,6-14,16,19H2,1-5H3,(H,27,29)
InChIKeyUDIKGVCXWDWZNY-UHFFFAOYSA-N
XLogP7.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2'-Methylacetoacetanilide
CID 7154
N-Acetyl-2,6-xylidine
CID 16616
N-(2,4-Dimethylphenyl)-3-oxobutanamide
CID 222464
ML213
CID 3111211
(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
CID 67096018
N-(2,6-di(propan-2-yl)phenyl)benzamide
CID 709320
2,6-Dimethylisobutyranilide
CID 36334
4,4'-Bis(o-acetoacetotoluidide)
CID 66686
2,6-Diethylacetanilide
CID 85534
N-[2,6-bis(1-methylethyl)phenyl]-beta-oxo-1-phenyl-cyclopentanepropanamide
CID 9886772
N-[2,6-bis(1-methylethyl)phenyl]-beta-oxo-benzenepropanamide
CID 10426365
N-(2,6-Diisopropyl-phenyl)-3-oxo-4,4-diphenyl-butyramide
CID 10476844

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide (CID 10476188) is N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide is CCCCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide?
The InChIKey is UDIKGVCXWDWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-6-7-8-9-10-11-12-13-14-16-22(28)19-25(29)27-26-23(20(2)3)17-15-18-24(26)21(4)5/h15,17-18,20-21H,6-14,16,19H2,1-5H3,(H,27,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide has a molecular weight of 401.64 g/mol, XLogP of 7.75, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-oxotetradecanamide is sourced from PubChem (CID 10476188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).