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

C21H16N2O3 — CID 875169

IUPAC(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1O
InChIInChI=1S/C21H16N2O3/c1-26-20-10-9-14(12-19(20)24)11-16(13-22)21(25)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,24H,1H3,(H,23,25)/b16-11+
InChIKeyGOJAUMCXELYPKY-LFIBNONCSA-N
MW344.37 g/mol
LogP4.10
Rot. Bonds4

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

(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 875169) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID875169
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1O
InChIInChI=1S/C21H16N2O3/c1-26-20-10-9-14(12-19(20)24)11-16(13-22)21(25)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,24H,1H3,(H,23,25)/b16-11+
InChIKeyGOJAUMCXELYPKY-LFIBNONCSA-N
XLogP4.10
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
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)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 2420204
(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 2130612
N-(2-bromophenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 3361468
(E)-N-(2-aminophenyl)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 24766984
3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3561943
2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 1266063
(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-methoxy-3-methylphenyl)prop-2-enamide
CID 24582748
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(Z)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2404333
(E)-N-(2-chlorophenyl)-2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9333975

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 875169) is (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1O.
What is the InChIKey of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is GOJAUMCXELYPKY-LFIBNONCSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-26-20-10-9-14(12-19(20)24)11-16(13-22)21(25)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,24H,1H3,(H,23,25)/b16-11+.
What are the key properties of (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 875169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).