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

C24H25N3O2 — CID 54784880

IUPAC2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-27(2)23(28)16-15-18-9-8-12-20(17-18)26-24(29)21-13-6-7-14-22(21)25-19-10-4-3-5-11-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,29)
InChIKeySJRBVVCHHOQENS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.70
Rot. Bonds7

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

2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 54784880) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID54784880
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-27(2)23(28)16-15-18-9-8-12-20(17-18)26-24(29)21-13-6-7-14-22(21)25-19-10-4-3-5-11-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,29)
InChIKeySJRBVVCHHOQENS-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-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
CID 54784881
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-nitrobenzamide
CID 43912124
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
2-(3-butylanilino)benzoic acid
CID 86186147

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide (CID 54784880) is 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide is CN(C)C(=O)CCc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1.
What is the InChIKey of 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is SJRBVVCHHOQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27(2)23(28)16-15-18-9-8-12-20(17-18)26-24(29)21-13-6-7-14-22(21)25-19-10-4-3-5-11-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-anilino-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide?
2-anilino-N-[3-[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-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 54784880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).