N,N-bis(2-cyanophenyl)-3-phenylpropanamide

C23H17N3O — CID 102310054

IUPACN,N-bis(2-cyanophenyl)-3-phenylpropanamide
SMILESN#Cc1ccccc1N(C(=O)CCc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C23H17N3O/c24-16-19-10-4-6-12-21(19)26(22-13-7-5-11-20(22)17-25)23(27)15-14-18-8-2-1-3-9-18/h1-13H,14-15H2
InChIKeyUMUWBCJTOWHVEN-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.73
Rot. Bonds5

About N,N-bis(2-cyanophenyl)-3-phenylpropanamide

N,N-bis(2-cyanophenyl)-3-phenylpropanamide (PubChem CID 102310054) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is N,N-bis(2-cyanophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanophenyl)-3-phenylpropanamide
PubChem CID102310054
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC NameN,N-bis(2-cyanophenyl)-3-phenylpropanamide
SMILESN#Cc1ccccc1N(C(=O)CCc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C23H17N3O/c24-16-19-10-4-6-12-21(19)26(22-13-7-5-11-20(22)17-25)23(27)15-14-18-8-2-1-3-9-18/h1-13H,14-15H2
InChIKeyUMUWBCJTOWHVEN-UHFFFAOYSA-N
XLogP4.73
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibenzylamino)benzonitrile
CID 83779732
3-[N-(carboxymethyl)-2-cyanoanilino]propanoic acid
CID 82317017
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146726
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 66744923
3-[2-cyano-N-[2-(dimethylamino)ethyl]anilino]propanoic acid
CID 82319824
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanophenyl)-3-phenylpropanamide?
The IUPAC name of N,N-bis(2-cyanophenyl)-3-phenylpropanamide (CID 102310054) is N,N-bis(2-cyanophenyl)-3-phenylpropanamide.
What is the SMILES notation for N,N-bis(2-cyanophenyl)-3-phenylpropanamide?
The canonical SMILES for N,N-bis(2-cyanophenyl)-3-phenylpropanamide is N#Cc1ccccc1N(C(=O)CCc1ccccc1)c1ccccc1C#N.
What is the InChIKey of N,N-bis(2-cyanophenyl)-3-phenylpropanamide?
The InChIKey is UMUWBCJTOWHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c24-16-19-10-4-6-12-21(19)26(22-13-7-5-11-20(22)17-25)23(27)15-14-18-8-2-1-3-9-18/h1-13H,14-15H2.
What are the key properties of N,N-bis(2-cyanophenyl)-3-phenylpropanamide?
N,N-bis(2-cyanophenyl)-3-phenylpropanamide has a molecular weight of 351.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanophenyl)-3-phenylpropanamide is sourced from PubChem (CID 102310054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).