2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide

C24H25N3O2 — CID 54784881

IUPAC2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-27(2)23(28)17-14-18-12-15-20(16-13-18)26-24(29)21-10-6-7-11-22(21)25-19-8-4-3-5-9-19/h3-13,15-16,25H,14,17H2,1-2H3,(H,26,29)
InChIKeyRUCFOZPUVKQICR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.70
Rot. Bonds7

About 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide

2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 54784881) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID54784881
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-27(2)23(28)17-14-18-12-15-20(16-13-18)26-24(29)21-10-6-7-11-22(21)25-19-8-4-3-5-9-19/h3-13,15-16,25H,14,17H2,1-2H3,(H,26,29)
InChIKeyRUCFOZPUVKQICR-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
CID 54784880
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
2-anilino-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55616235
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 46760697
N-(4-anilinophenyl)-2-(ethylcarbamothioylamino)benzamide
CID 4942201
2-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide
CID 46760702
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
2-anilino-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 54784907
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide (CID 54784881) is 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide is CN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is RUCFOZPUVKQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27(2)23(28)17-14-18-12-15-20(16-13-18)26-24(29)21-10-6-7-11-22(21)25-19-8-4-3-5-9-19/h3-13,15-16,25H,14,17H2,1-2H3,(H,26,29).
What are the key properties of 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 54784881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).