7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide

C26H35N3O3 — CID 70024279

IUPAC7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide
SMILESCOc1cccc2c1N(CCN1CCOCC1)C(C)C2(C(N)=O)C(C)c1ccc(C)cc1
InChIInChI=1S/C26H35N3O3/c1-18-8-10-21(11-9-18)19(2)26(25(27)30)20(3)29(13-12-28-14-16-32-17-15-28)24-22(26)6-5-7-23(24)31-4/h5-11,19-20H,12-17H2,1-4H3,(H2,27,30)
InChIKeyZTTJIRUHKFWOPS-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.07
Rot. Bonds7

About 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide

7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide (PubChem CID 70024279) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide
PubChem CID70024279
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide
SMILESCOc1cccc2c1N(CCN1CCOCC1)C(C)C2(C(N)=O)C(C)c1ccc(C)cc1
InChIInChI=1S/C26H35N3O3/c1-18-8-10-21(11-9-18)19(2)26(25(27)30)20(3)29(13-12-28-14-16-32-17-15-28)24-22(26)6-5-7-23(24)31-4/h5-11,19-20H,12-17H2,1-4H3,(H2,27,30)
InChIKeyZTTJIRUHKFWOPS-UHFFFAOYSA-N
XLogP3.07
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide (CID 70024279) is 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide is COc1cccc2c1N(CCN1CCOCC1)C(C)C2(C(N)=O)C(C)c1ccc(C)cc1.
What is the InChIKey of 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide?
The InChIKey is ZTTJIRUHKFWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18-8-10-21(11-9-18)19(2)26(25(27)30)20(3)29(13-12-28-14-16-32-17-15-28)24-22(26)6-5-7-23(24)31-4/h5-11,19-20H,12-17H2,1-4H3,(H2,27,30).
What are the key properties of 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide?
7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2-morpholin-4-ylethyl)-2H-indole-3-carboxamide is sourced from PubChem (CID 70024279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).