1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H25N3O5 — CID 53155631

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-14(27)25-7-6-15-8-18(4-5-21(15)25)26-13-16(9-22(26)28)23(29)24-17-10-19(30-2)12-20(11-17)31-3/h4-5,8,10-12,16H,6-7,9,13H2,1-3H3,(H,24,29)
InChIKeyZJXPSRFRBWLHPN-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.60
Rot. Bonds5

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155631) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155631
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-14(27)25-7-6-15-8-18(4-5-21(15)25)26-13-16(9-22(26)28)23(29)24-17-10-19(30-2)12-20(11-17)31-3/h4-5,8,10-12,16H,6-7,9,13H2,1-3H3,(H,24,29)
InChIKeyZJXPSRFRBWLHPN-UHFFFAOYSA-N
XLogP2.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155631) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc(OC)c1.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZJXPSRFRBWLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14(27)25-7-6-15-8-18(4-5-21(15)25)26-13-16(9-22(26)28)23(29)24-17-10-19(30-2)12-20(11-17)31-3/h4-5,8,10-12,16H,6-7,9,13H2,1-3H3,(H,24,29).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).