(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide

C19H15N3O2 — CID 124628601

IUPAC(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
SMILESN#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H15N3O2/c20-10-11-24-18-8-6-15(7-9-18)12-17(13-21)19(23)22-14-16-4-2-1-3-5-16/h1-9,12H,11,14H2,(H,22,23)/b17-12-
InChIKeyKNAJIOGYKJZSHB-ATVHPVEESA-N
MW317.35 g/mol
LogP2.81
Rot. Bonds6

About (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide (PubChem CID 124628601) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
PubChem CID124628601
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
SMILESN#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H15N3O2/c20-10-11-24-18-8-6-15(7-9-18)12-17(13-21)19(23)22-14-16-4-2-1-3-5-16/h1-9,12H,11,14H2,(H,22,23)/b17-12-
InChIKeyKNAJIOGYKJZSHB-ATVHPVEESA-N
XLogP2.81
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 21207083
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 5014584
4-[[4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7476837
3-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
CID 1334928
(E)-3-(4-anilinophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 9045300
(E)-N-benzyl-2-cyano-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126163201
(Z)-3-(4-acetamidophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 2382425
(E)-N-benzyl-2-cyano-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24505458
(E)-N-benzyl-2-cyano-3-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126266541
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
(Z)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 17370059

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide (CID 124628601) is (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide is N#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide?
The InChIKey is KNAJIOGYKJZSHB-ATVHPVEESA-N. The full InChI is InChI=1S/C19H15N3O2/c20-10-11-24-18-8-6-15(7-9-18)12-17(13-21)19(23)22-14-16-4-2-1-3-5-16/h1-9,12H,11,14H2,(H,22,23)/b17-12-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide has a molecular weight of 317.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 124628601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).