(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

C21H19N3O2 — CID 7927636

IUPAC(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C21H19N3O2/c1-3-14-5-4-6-19-16(13-23-20(14)19)11-15(12-22)21(25)24-17-7-9-18(26-2)10-8-17/h4-11,13,23H,3H2,1-2H3,(H,24,25)/b15-11+
InChIKeyPKEMFAYOYHGFOR-RVDMUPIBSA-N
MW345.40 g/mol
LogP4.28
Rot. Bonds5

About (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 7927636) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID7927636
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C21H19N3O2/c1-3-14-5-4-6-19-16(13-23-20(14)19)11-15(12-22)21(25)24-17-7-9-18(26-2)10-8-17/h4-11,13,23H,3H2,1-2H3,(H,24,25)/b15-11+
InChIKeyPKEMFAYOYHGFOR-RVDMUPIBSA-N
XLogP4.28
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.28
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

(E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 876651
2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
CID 78608845
N-benzyl-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enamide
CID 4811134
(Z)-2-cyano-3-(2-iodophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2688955
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 52901119
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
(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
2-cyano-3-(2,3-difluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 72688933
(E)-2-cyano-3-[3,5-dichloro-2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 126055079
methyl 2-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 9365665
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108849176
ethyl 4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoate
CID 2368300

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (CID 7927636) is (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide is CCc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is PKEMFAYOYHGFOR-RVDMUPIBSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-14-5-4-6-19-16(13-23-20(14)19)11-15(12-22)21(25)24-17-7-9-18(26-2)10-8-17/h4-11,13,23H,3H2,1-2H3,(H,24,25)/b15-11+.
What are the key properties of (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7927636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).