(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide

C25H23N3O — CID 108840489

IUPAC(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c1-2-19-11-9-10-16-23(19)27-18-22(17-26)25(29)28-24(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18,24,27H,2H2,1H3,(H,28,29)/b22-18-
InChIKeyPWCZDKVLJFNKBV-PYCFMQQDSA-N
MW381.48 g/mol
LogP4.97
Rot. Bonds7

About (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide

(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide (PubChem CID 108840489) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
PubChem CID108840489
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
SMILESCCc1ccccc1N/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c1-2-19-11-9-10-16-23(19)27-18-22(17-26)25(29)28-24(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18,24,27H,2H2,1H3,(H,28,29)/b22-18-
InChIKeyPWCZDKVLJFNKBV-PYCFMQQDSA-N
XLogP4.97
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.97
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)-N-benzhydryl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108840461
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
(Z)-N-benzhydryl-2-cyano-3-[2-(2-methylphenyl)ethylamino]prop-2-enamide
CID 108840582
(Z)-N-benzhydryl-2-cyano-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108840258
(Z)-N-benzhydryl-3-[(2-bromophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108840575
(Z)-N-benzhydryl-2-cyano-3-(2,5-difluoroanilino)prop-2-enamide
CID 108840562
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-N-benzhydryl-2-cyano-3-(3,4-diethoxyanilino)prop-2-enamide
CID 108840387
(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide
CID 108840297
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108839743

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide (CID 108840489) is (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide is CCc1ccccc1N/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
The InChIKey is PWCZDKVLJFNKBV-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H23N3O/c1-2-19-11-9-10-16-23(19)27-18-22(17-26)25(29)28-24(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18,24,27H,2H2,1H3,(H,28,29)/b22-18-.
What are the key properties of (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide?
(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108840489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).