(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide

C23H16N2O2 — CID 60591928

IUPAC(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H16N2O2/c1-2-14-27-20-12-10-17(11-13-20)15-19(16-24)23(26)25-22-9-5-7-18-6-3-4-8-21(18)22/h1,3-13,15H,14H2,(H,25,26)/b19-15-
InChIKeyKDRPKAFFEUDKCL-CYVLTUHYSA-N
MW352.39 g/mol
LogP4.40
Rot. Bonds5

About (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide

(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide (PubChem CID 60591928) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
PubChem CID60591928
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H16N2O2/c1-2-14-27-20-12-10-17(11-13-20)15-19(16-24)23(26)25-22-9-5-7-18-6-3-4-8-21(18)22/h1,3-13,15H,14H2,(H,25,26)/b19-15-
InChIKeyKDRPKAFFEUDKCL-CYVLTUHYSA-N
XLogP4.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.40
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-chlorophenyl)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 99905060
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 47436222
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 6021141
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654
2-cyano-3-(4-prop-2-ynoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 76871106
(Z)-2-cyano-3-(4-prop-2-ynoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 48836700
2-cyano-3-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 4570144
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 875169
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide (CID 60591928) is (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide is C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
The InChIKey is KDRPKAFFEUDKCL-CYVLTUHYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-2-14-27-20-12-10-17(11-13-20)15-19(16-24)23(26)25-22-9-5-7-18-6-3-4-8-21(18)22/h1,3-13,15H,14H2,(H,25,26)/b19-15-.
What are the key properties of (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60591928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).