(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide

C24H20N2O — CID 6448454

IUPAC(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-18-21-14-8-9-15-22(21)26(20-12-6-3-7-13-20)24(18)25-23(27)17-16-19-10-4-2-5-11-19/h2-17H,1H3,(H,25,27)/b17-16+
InChIKeyINUSSNDCTRJFNE-WUKNDPDISA-N
MW352.44 g/mol
LogP5.59
Rot. Bonds4

About (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide

(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide (PubChem CID 6448454) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide
PubChem CID6448454
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-18-21-14-8-9-15-22(21)26(20-12-6-3-7-13-20)24(18)25-23(27)17-16-19-10-4-2-5-11-19/h2-17H,1H3,(H,25,27)/b17-16+
InChIKeyINUSSNDCTRJFNE-WUKNDPDISA-N
XLogP5.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895
1-[1-(3-Isopropenylphenyl)-1-methyl-ethyl]-3-(2-quinolyl)urea
CID 67473072
1-[3-[(11-Methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
CID 90670056
1-Butyl-3-[3-[(5-methylindolo[2,3-b]quinolin-11-yl)amino]propyl]urea
CID 136226186
1-[6-[(5-Methylindolo[2,3-b]quinolin-11-yl)amino]hexyl]-3-phenyl-urea
CID 136240925
1-[3-[(5-Methylindolo[2,3-b]quinolin-11-yl)amino]propyl]-3-phenyl-urea
CID 136244918
N-{4-[(4-methylquinolin-2-yl)amino]phenyl}acetamide
CID 685136
Acetamide, 2-(diethylamino)-N-(3-methyl-1-phenyl-1H-indol-2-yl)-
CID 559512
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
CID 754251
N-(quinolin-2-yl)-[1,1'-biphenyl]-2-carboxamide
CID 9116527
(2E)-N-[2-(Diethylamino)-4-methylquinolin-6-YL]-3-(4-methylphenyl)prop-2-enamide
CID 15987803

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide (CID 6448454) is (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide is Cc1c(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is INUSSNDCTRJFNE-WUKNDPDISA-N. The full InChI is InChI=1S/C24H20N2O/c1-18-21-14-8-9-15-22(21)26(20-12-6-3-7-13-20)24(18)25-23(27)17-16-19-10-4-2-5-11-19/h2-17H,1H3,(H,25,27)/b17-16+.
What are the key properties of (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1-phenylindol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6448454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).