4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide

C25H34N2O2 — CID 3669912

IUPAC4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C25H34N2O2/c1-4-5-6-7-8-9-10-14-23(28)26-22-17-15-21(16-18-22)25(29)27-24-19(2)12-11-13-20(24)3/h11-13,15-18H,4-10,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyRFERVOUARFUCAM-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.63
Rot. Bonds11

About 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide

4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide (PubChem CID 3669912) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
PubChem CID3669912
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C25H34N2O2/c1-4-5-6-7-8-9-10-14-23(28)26-22-17-15-21(16-18-22)25(29)27-24-19(2)12-11-13-20(24)3/h11-13,15-18H,4-10,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyRFERVOUARFUCAM-UHFFFAOYSA-N
XLogP6.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide
CID 46501979
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide (CID 3669912) is 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide is CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is RFERVOUARFUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-5-6-7-8-9-10-14-23(28)26-22-17-15-21(16-18-22)25(29)27-24-19(2)12-11-13-20(24)3/h11-13,15-18H,4-10,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide?
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 394.56 g/mol, XLogP of 6.63, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 3669912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).