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

C24H39NO2 — CID 10317246

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H39NO2/c1-6-7-8-9-10-11-12-14-20(26)17-23(27)25-24-21(18(2)3)15-13-16-22(24)19(4)5/h13,15-16,18-19H,6-12,14,17H2,1-5H3,(H,25,27)
InChIKeyLQIHPIYBTDIIPA-UHFFFAOYSA-N
MW373.58 g/mol
LogP6.97
Rot. Bonds13

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

N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide (PubChem CID 10317246) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide
PubChem CID10317246
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H39NO2/c1-6-7-8-9-10-11-12-14-20(26)17-23(27)25-24-21(18(2)3)15-13-16-22(24)19(4)5/h13,15-16,18-19H,6-12,14,17H2,1-5H3,(H,25,27)
InChIKeyLQIHPIYBTDIIPA-UHFFFAOYSA-N
XLogP6.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 56.97
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-oxododecanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide (CID 10317246) is N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide is CCCCCCCCCC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide?
The InChIKey is LQIHPIYBTDIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-6-7-8-9-10-11-12-14-20(26)17-23(27)25-24-21(18(2)3)15-13-16-22(24)19(4)5/h13,15-16,18-19H,6-12,14,17H2,1-5H3,(H,25,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-oxododecanamide has a molecular weight of 373.58 g/mol, XLogP of 6.97, 13 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-oxododecanamide is sourced from PubChem (CID 10317246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).