(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

C21H22N2O — CID 17271955

IUPAC(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C21H22N2O/c1-15-8-9-20-19(12-15)18(14-23-20)10-11-22-21(24)16(2)13-17-6-4-3-5-7-17/h3-9,12-14,23H,10-11H2,1-2H3,(H,22,24)/b16-13+
InChIKeyHJXAXZAGCYMJOO-DTQAZKPQSA-N
MW318.42 g/mol
LogP4.24
Rot. Bonds5

About (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 17271955) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID17271955
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C21H22N2O/c1-15-8-9-20-19(12-15)18(14-23-20)10-11-22-21(24)16(2)13-17-6-4-3-5-7-17/h3-9,12-14,23H,10-11H2,1-2H3,(H,22,24)/b16-13+
InChIKeyHJXAXZAGCYMJOO-DTQAZKPQSA-N
XLogP4.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 17271930
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 110616795
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298536
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2245782
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
2-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]hexanamide
CID 17271853

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (CID 17271955) is (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is HJXAXZAGCYMJOO-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-8-9-20-19(12-15)18(14-23-20)10-11-22-21(24)16(2)13-17-6-4-3-5-7-17/h3-9,12-14,23H,10-11H2,1-2H3,(H,22,24)/b16-13+.
What are the key properties of (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 17271955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).