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

C18H13N3O — CID 7265065

IUPAC(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H13N3O/c1-13-2-8-17(9-3-13)21-18(22)16(12-20)10-14-4-6-15(11-19)7-5-14/h2-10H,1H3,(H,21,22)/b16-10-
InChIKeyRTYDZMRPTVLJMB-YBEGLDIGSA-N
MW287.32 g/mol
LogP3.41
Rot. Bonds3

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

(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 7265065) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID7265065
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H13N3O/c1-13-2-8-17(9-3-13)21-18(22)16(12-20)10-14-4-6-15(11-19)7-5-14/h2-10H,1H3,(H,21,22)/b16-10-
InChIKeyRTYDZMRPTVLJMB-YBEGLDIGSA-N
XLogP3.41
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.41
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

(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
[4-[(Z)-2-cyano-3-(4-cyanoanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 1187005
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 99117795
4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]benzoic acid
CID 957163
3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 4542593
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817306
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 51109586
(E)-2-cyano-N-(4-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 166404392
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 124651936
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide (CID 7265065) is (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is RTYDZMRPTVLJMB-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H13N3O/c1-13-2-8-17(9-3-13)21-18(22)16(12-20)10-14-4-6-15(11-19)7-5-14/h2-10H,1H3,(H,21,22)/b16-10-.
What are the key properties of (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7265065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).