(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide

C26H24N2O — CID 17271930

IUPAC(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1ccc2[nH]cc(CCNC(=O)/C(=C\c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C26H24N2O/c1-19-12-13-25-23(16-19)22(18-28-25)14-15-27-26(29)24(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-13,16-18,28H,14-15H2,1H3,(H,27,29)/b24-17-
InChIKeyYULPLNGZUDCSSY-ULJHMMPZSA-N
MW380.49 g/mol
LogP5.38
Rot. Bonds6

About (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide

(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide (PubChem CID 17271930) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
PubChem CID17271930
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1ccc2[nH]cc(CCNC(=O)/C(=C\c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C26H24N2O/c1-19-12-13-25-23(16-19)22(18-28-25)14-15-27-26(29)24(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-13,16-18,28H,14-15H2,1H3,(H,27,29)/b24-17-
InChIKeyYULPLNGZUDCSSY-ULJHMMPZSA-N
XLogP5.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 17271955
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2245782
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
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
N-[1-[4-(dimethylamino)phenyl]-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3302604
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2875968
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6534054
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2909911

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide (CID 17271930) is (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide is Cc1ccc2[nH]cc(CCNC(=O)/C(=C\c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide?
The InChIKey is YULPLNGZUDCSSY-ULJHMMPZSA-N. The full InChI is InChI=1S/C26H24N2O/c1-19-12-13-25-23(16-19)22(18-28-25)14-15-27-26(29)24(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-13,16-18,28H,14-15H2,1H3,(H,27,29)/b24-17-.
What are the key properties of (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide has a molecular weight of 380.49 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 17271930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).