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

C16H22N4O — CID 108818136

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1)CCC
InChIInChI=1S/C16H22N4O/c1-3-9-20(10-4-2)12-13(11-17)16(21)19-15-7-5-14(18)6-8-15/h5-8,12H,3-4,9-10,18H2,1-2H3,(H,19,21)/b13-12-
InChIKeyPGBAVLPCSJUWJD-SEYXRHQNSA-N
MW286.38 g/mol
LogP2.74
Rot. Bonds7

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

(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide (PubChem CID 108818136) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
PubChem CID108818136
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1)CCC
InChIInChI=1S/C16H22N4O/c1-3-9-20(10-4-2)12-13(11-17)16(21)19-15-7-5-14(18)6-8-15/h5-8,12H,3-4,9-10,18H2,1-2H3,(H,19,21)/b13-12-
InChIKeyPGBAVLPCSJUWJD-SEYXRHQNSA-N
XLogP2.74
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.74
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-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
(Z)-N-(4-aminophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108818084
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108818087
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide
CID 108817925
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826338
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(dipropylamino)prop-2-enamide
CID 108825593
(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850857
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827455

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide (CID 108818136) is (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)Nc1ccc(N)cc1)CCC.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
The InChIKey is PGBAVLPCSJUWJD-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-20(10-4-2)12-13(11-17)16(21)19-15-7-5-14(18)6-8-15/h5-8,12H,3-4,9-10,18H2,1-2H3,(H,19,21)/b13-12-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 2.74, 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-(dipropylamino)prop-2-enamide is sourced from PubChem (CID 108818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).