(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide

C24H22N4O — CID 108818087

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C24H22N4O/c25-15-21(24(29)27-23-13-11-22(26)12-14-23)18-28(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,18H,16-17,26H2,(H,27,29)/b21-18-
InChIKeyFNVUXJXXSFIXBS-UZYVYHOESA-N
MW382.47 g/mol
LogP4.32
Rot. Bonds7

About (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide

(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide (PubChem CID 108818087) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
PubChem CID108818087
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C24H22N4O/c25-15-21(24(29)27-23-13-11-22(26)12-14-23)18-28(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,18H,16-17,26H2,(H,27,29)/b21-18-
InChIKeyFNVUXJXXSFIXBS-UZYVYHOESA-N
XLogP4.32
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-aminophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108818084
(Z)-2-cyano-3-(dibenzylamino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849689
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820694
(Z)-N-(4-acetamidophenyl)-3-[benzyl(2-hydroxyethyl)amino]-2-cyanoprop-2-enamide
CID 108818639
(Z)-3-[benzyl(2-hydroxyethyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827409
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849686
(Z)-N-(3-acetylphenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108856766
(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108842244
(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108859545
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
(Z)-2-cyano-3-(dibenzylamino)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843352

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide (CID 108818087) is (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide is N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide?
The InChIKey is FNVUXJXXSFIXBS-UZYVYHOESA-N. The full InChI is InChI=1S/C24H22N4O/c25-15-21(24(29)27-23-13-11-22(26)12-14-23)18-28(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,18H,16-17,26H2,(H,27,29)/b21-18-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide has a molecular weight of 382.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide is sourced from PubChem (CID 108818087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).