N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide

C24H21N3O2 — CID 142065302

IUPACN-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-5-2-3-8-22(17)19-9-11-20(12-10-19)24(29)26-14-13-23(28)27-21-7-4-6-18(15-21)16-25/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyOCGWEJBTEFRDHP-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.29
Rot. Bonds6

About N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide

N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide (PubChem CID 142065302) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
PubChem CID142065302
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C24H21N3O2/c1-17-5-2-3-8-22(17)19-9-11-20(12-10-19)24(29)26-14-13-23(28)27-21-7-4-6-18(15-21)16-25/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyOCGWEJBTEFRDHP-UHFFFAOYSA-N
XLogP4.29
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-[3-(3-ethynylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46529788
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921393
4-N-(3-cyanophenyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109048503
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide?
The IUPAC name of N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide (CID 142065302) is N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide.
What is the SMILES notation for N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide?
The canonical SMILES for N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide is Cc1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide?
The InChIKey is OCGWEJBTEFRDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-5-2-3-8-22(17)19-9-11-20(12-10-19)24(29)26-14-13-23(28)27-21-7-4-6-18(15-21)16-25/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide?
N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide is sourced from PubChem (CID 142065302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).