(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide

C14H15N3O — CID 108817434

IUPAC(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NC2CC2)cc1
InChIInChI=1S/C14H15N3O/c1-10-2-4-13(5-3-10)17-14(18)11(8-15)9-16-12-6-7-12/h2-5,9,12,16H,6-7H2,1H3,(H,17,18)/b11-9-
InChIKeySYZSLBDKSMYOBU-LUAWRHEFSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds4

About (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 108817434) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
PubChem CID108817434
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NC2CC2)cc1
InChIInChI=1S/C14H15N3O/c1-10-2-4-13(5-3-10)17-14(18)11(8-15)9-16-12-6-7-12/h2-5,9,12,16H,6-7H2,1H3,(H,17,18)/b11-9-
InChIKeySYZSLBDKSMYOBU-LUAWRHEFSA-N
XLogP2.09
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
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-(cyclopentylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820576
(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
CID 108858510
(Z)-2-cyano-3-(cycloheptylamino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828602
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817306
(Z)-2-cyano-N-(4-methylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108817262
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108817232
[4-[[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]amino]phenyl] thiocyanate
CID 108817380
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817259
(Z)-2-cyano-3-(cyclopropylamino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821163
(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
CID 108818079
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817279
(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817239

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide (CID 108817434) is (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NC2CC2)cc1.
What is the InChIKey of (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is SYZSLBDKSMYOBU-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-2-4-13(5-3-10)17-14(18)11(8-15)9-16-12-6-7-12/h2-5,9,12,16H,6-7H2,1H3,(H,17,18)/b11-9-.
What are the key properties of (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108817434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).