1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide

C25H24N2O4 — CID 53160332

IUPAC1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(C(=O)NCc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-10-8-19(9-11-21)25(29)27-13-12-18-6-7-20(15-23(18)27)24(28)26-16-17-4-3-5-22(14-17)31-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyDQRSZDHADCOXJA-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide

1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 53160332) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide
PubChem CID53160332
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(C(=O)NCc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C25H24N2O4/c1-30-21-10-8-19(9-11-21)25(29)27-13-12-18-6-7-20(15-23(18)27)24(28)26-16-17-4-3-5-22(14-17)31-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyDQRSZDHADCOXJA-UHFFFAOYSA-N
XLogP3.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide (CID 53160332) is 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide is COc1ccc(C(=O)N2CCc3ccc(C(=O)NCc4cccc(OC)c4)cc32)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is DQRSZDHADCOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-30-21-10-8-19(9-11-21)25(29)27-13-12-18-6-7-20(15-23(18)27)24(28)26-16-17-4-3-5-22(14-17)31-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide?
1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).