(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide

C20H14N2O2 — CID 7559871

IUPAC(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c21-13-16(12-14-8-10-17(23)11-9-14)20(24)22-19-7-3-5-15-4-1-2-6-18(15)19/h1-12,23H,(H,22,24)/b16-12+
InChIKeyDOTIBXMBXLKGHN-FOWTUZBSSA-N
MW314.34 g/mol
LogP4.09
Rot. Bonds3

About (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide

(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 7559871) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID7559871
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c21-13-16(12-14-8-10-17(23)11-9-14)20(24)22-19-7-3-5-15-4-1-2-6-18(15)19/h1-12,23H,(H,22,24)/b16-12+
InChIKeyDOTIBXMBXLKGHN-FOWTUZBSSA-N
XLogP4.09
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.09
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

2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 875169
(Z)-2-cyano-N-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 60591928
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 7515839
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 7967270
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108843394
2-cyano-3-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 4570144

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 7559871) is (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide is N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is DOTIBXMBXLKGHN-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-13-16(12-14-8-10-17(23)11-9-14)20(24)22-19-7-3-5-15-4-1-2-6-18(15)19/h1-12,23H,(H,22,24)/b16-12+.
What are the key properties of (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 314.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 7559871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).