(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide

C19H15N3O3 — CID 52901119

IUPAC(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccc2[nH]cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H15N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-9,11,21,23H,1H3,(H,22,24)/b12-8+
InChIKeyISWKEXMSYJEOGU-XYOKQWHBSA-N
MW333.35 g/mol
LogP3.43
Rot. Bonds4

About (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide

(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide (PubChem CID 52901119) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
PubChem CID52901119
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccc2[nH]cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H15N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-9,11,21,23H,1H3,(H,22,24)/b12-8+
InChIKeyISWKEXMSYJEOGU-XYOKQWHBSA-N
XLogP3.43
TPSA98.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 876651
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7927636
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828384
2-cyano-N-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4288774
(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 52897929
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 126380096
(2S)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 52897928
(E)-2-cyano-3-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1274803
(Z)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 1269805
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide (CID 52901119) is (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide is COc1ccc2[nH]cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2c1.
What is the InChIKey of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The InChIKey is ISWKEXMSYJEOGU-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-9,11,21,23H,1H3,(H,22,24)/b12-8+.
What are the key properties of (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide has a molecular weight of 333.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 52901119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).