ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

C21H24N2O — CID 143475509

IUPACethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
SMILESCC.CNC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H18N2O.C2H6/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14;1-2/h3-12,21H,1-2H3,(H,20,22);1-2H3/b17-12-;
InChIKeyHXYUNARVVNHNDC-HBPAQXCTSA-N
MW320.44 g/mol
LogP4.68
Rot. Bonds3

About ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (PubChem CID 143475509) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
PubChem CID143475509
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Nameethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
SMILESCC.CNC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H18N2O.C2H6/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14;1-2/h3-12,21H,1-2H3,(H,20,22);1-2H3/b17-12-;
InChIKeyHXYUNARVVNHNDC-HBPAQXCTSA-N
XLogP4.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
CID 67356049
(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide
CID 67356625
N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
propan-2-yl 2-methyl-1H-indole-5-carboxylate
CID 133060413
2-methyl-1H-indole;oxalic acid
CID 161360574
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
CID 69174098
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
benzene;2-methyl-1H-indole
CID 158804583

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (CID 143475509) is ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is CC.CNC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1.
What is the InChIKey of ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The InChIKey is HXYUNARVVNHNDC-HBPAQXCTSA-N. The full InChI is InChI=1S/C19H18N2O.C2H6/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14;1-2/h3-12,21H,1-2H3,(H,20,22);1-2H3/b17-12-;.
What are the key properties of ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 320.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 143475509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).