(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide

C25H27N3O4 — CID 71054632

IUPAC(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide
SMILESCOc1ccc2c(c1)c(/C(CO)=C(/C(=O)N(C)C)c1c[nH]c3ccccc13)cn2CCO
InChIInChI=1S/C25H27N3O4/c1-27(2)25(31)24(19-13-26-22-7-5-4-6-17(19)22)21(15-30)20-14-28(10-11-29)23-9-8-16(32-3)12-18(20)23/h4-9,12-14,26,29-30H,10-11,15H2,1-3H3/b24-21+
InChIKeyBJURARIUSWRPKI-DARPEHSRSA-N
MW433.51 g/mol
LogP3.11
Rot. Bonds7

About (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide

(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide (PubChem CID 71054632) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide
PubChem CID71054632
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide
SMILESCOc1ccc2c(c1)c(/C(CO)=C(/C(=O)N(C)C)c1c[nH]c3ccccc13)cn2CCO
InChIInChI=1S/C25H27N3O4/c1-27(2)25(31)24(19-13-26-22-7-5-4-6-17(19)22)21(15-30)20-14-28(10-11-29)23-9-8-16(32-3)12-18(20)23/h4-9,12-14,26,29-30H,10-11,15H2,1-3H3/b24-21+
InChIKeyBJURARIUSWRPKI-DARPEHSRSA-N
XLogP3.11
TPSA90.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-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

5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one
CID 71054630
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
2,2-dimethylpropyl 5-methoxy-1-propylindole-3-carboxylate
CID 141093705
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
3-(1-butyl-5-methoxyindol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;ethanimidamide
CID 145482206

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide?
The IUPAC name of (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide (CID 71054632) is (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide?
The canonical SMILES for (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide is COc1ccc2c(c1)c(/C(CO)=C(/C(=O)N(C)C)c1c[nH]c3ccccc13)cn2CCO.
What is the InChIKey of (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide?
The InChIKey is BJURARIUSWRPKI-DARPEHSRSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-27(2)25(31)24(19-13-26-22-7-5-4-6-17(19)22)21(15-30)20-14-28(10-11-29)23-9-8-16(32-3)12-18(20)23/h4-9,12-14,26,29-30H,10-11,15H2,1-3H3/b24-21+.
What are the key properties of (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide?
(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide has a molecular weight of 433.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 71054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).