(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide

C21H22N2O2 — CID 59031282

IUPAC(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide
SMILESCONC(=O)/C(C)=C/c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C
InChIInChI=1S/C21H22N2O2/c1-13-11-19(16-5-6-20-17(12-16)7-8-22-20)14(2)9-18(13)10-15(3)21(24)23-25-4/h5-12,22H,1-4H3,(H,23,24)/b15-10+
InChIKeyHFLKNQHBQABLQJ-XNTDXEJSSA-N
MW334.42 g/mol
LogP4.53
Rot. Bonds4

About (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide

(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide (PubChem CID 59031282) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide
PubChem CID59031282
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide
SMILESCONC(=O)/C(C)=C/c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C
InChIInChI=1S/C21H22N2O2/c1-13-11-19(16-5-6-20-17(12-16)7-8-22-20)14(2)9-18(13)10-15(3)21(24)23-25-4/h5-12,22H,1-4H3,(H,23,24)/b15-10+
InChIKeyHFLKNQHBQABLQJ-XNTDXEJSSA-N
XLogP4.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-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

3-[[(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoyl]amino]propanoic acid
CID 59031669
(E)-N-[3-(dimethylamino)-3-oxopropyl]-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031605
(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
CID 59031313
(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide
CID 59031194
(E)-3-[2,5-dimethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]-N-methoxy-2-methylprop-2-enamide
CID 59031214
(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
CID 59031329
(E)-3-[4-(4-aminophenyl)-2,5-dimethylphenyl]-N-tert-butyl-2-methylprop-2-enamide
CID 59031475
(E)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031501
(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031388
(E)-3-[4-(3H-benzimidazol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoic acid
CID 59031318
(E)-3-[2,5-dimethyl-4-(1H-pyrrol-3-yl)phenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031511
N-(cyanomethyl)-3-[4-[4-(cyclopentylamino)-3-fluorophenyl]-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 73036200

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide (CID 59031282) is (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide is CONC(=O)/C(C)=C/c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C.
What is the InChIKey of (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide?
The InChIKey is HFLKNQHBQABLQJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-11-19(16-5-6-20-17(12-16)7-8-22-20)14(2)9-18(13)10-15(3)21(24)23-25-4/h5-12,22H,1-4H3,(H,23,24)/b15-10+.
What are the key properties of (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide?
(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide is sourced from PubChem (CID 59031282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).