(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide

C17H23N3O — CID 108821492

IUPAC(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccccc1C)CCC
InChIInChI=1S/C17H23N3O/c1-4-10-20(11-5-2)13-15(12-18)17(21)19-16-9-7-6-8-14(16)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,21)/b15-13-
InChIKeyYOGLFNKREHWPBE-SQFISAMPSA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds7

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

(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 108821492) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
PubChem CID108821492
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1ccccc1C)CCC
InChIInChI=1S/C17H23N3O/c1-4-10-20(11-5-2)13-15(12-18)17(21)19-16-9-7-6-8-14(16)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,21)/b15-13-
InChIKeyYOGLFNKREHWPBE-SQFISAMPSA-N
XLogP3.46
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850857
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(dipropylamino)prop-2-enamide
CID 108825593
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821493
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857509
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179
(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850816
ethyl 2-[[(Z)-3-[bis(2-methoxyethyl)amino]-2-cyanoprop-2-enoyl]amino]benzoate
CID 108827083
(Z)-2-cyano-3-(dibenzylamino)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843352
(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826338
(Z)-2-cyano-N-(2-methylphenyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108821467

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide (CID 108821492) is (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide is CCCN(/C=C(/C#N)C(=O)Nc1ccccc1C)CCC.
What is the InChIKey of (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is YOGLFNKREHWPBE-SQFISAMPSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-20(11-5-2)13-15(12-18)17(21)19-16-9-7-6-8-14(16)3/h6-9,13H,4-5,10-11H2,1-3H3,(H,19,21)/b15-13-.
What are the key properties of (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 285.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).