4-(dodecanoylamino)-N-phenylbenzamide

C25H34N2O2 — CID 5109500

IUPAC4-(dodecanoylamino)-N-phenylbenzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-24(28)26-23-19-17-21(18-20-23)25(29)27-22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyXSWWXBNCLQZEOX-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.80
Rot. Bonds13

About 4-(dodecanoylamino)-N-phenylbenzamide

4-(dodecanoylamino)-N-phenylbenzamide (PubChem CID 5109500) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(dodecanoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(dodecanoylamino)-N-phenylbenzamide
PubChem CID5109500
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-(dodecanoylamino)-N-phenylbenzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-24(28)26-23-19-17-21(18-20-23)25(29)27-22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyXSWWXBNCLQZEOX-UHFFFAOYSA-N
XLogP6.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dodecanoylamino)-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
formamide;N-phenylheptanamide
CID 143464966
5-oxo-N-phenylheptadecanamide
CID 3308902
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
4-(decanoylamino)-N-nonylbenzamide
CID 3464563

Frequently Asked Questions

What is the IUPAC name of 4-(dodecanoylamino)-N-phenylbenzamide?
The IUPAC name of 4-(dodecanoylamino)-N-phenylbenzamide (CID 5109500) is 4-(dodecanoylamino)-N-phenylbenzamide.
What is the SMILES notation for 4-(dodecanoylamino)-N-phenylbenzamide?
The canonical SMILES for 4-(dodecanoylamino)-N-phenylbenzamide is CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(dodecanoylamino)-N-phenylbenzamide?
The InChIKey is XSWWXBNCLQZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-24(28)26-23-19-17-21(18-20-23)25(29)27-22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-(dodecanoylamino)-N-phenylbenzamide?
4-(dodecanoylamino)-N-phenylbenzamide has a molecular weight of 394.56 g/mol, XLogP of 6.80, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecanoylamino)-N-phenylbenzamide is sourced from PubChem (CID 5109500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).