1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H25N3O4 — CID 53155660

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)c1
InChIInChI=1S/C23H25N3O4/c1-15(27)25-9-8-17-11-19(6-7-21(17)25)26-14-18(12-22(26)28)23(29)24-13-16-4-3-5-20(10-16)30-2/h3-7,10-11,18H,8-9,12-14H2,1-2H3,(H,24,29)
InChIKeyRFOQAEWREJDKMY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.27
Rot. Bonds5

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155660) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53155660
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)c1
InChIInChI=1S/C23H25N3O4/c1-15(27)25-9-8-17-11-19(6-7-21(17)25)26-14-18(12-22(26)28)23(29)24-13-16-4-3-5-20(10-16)30-2/h3-7,10-11,18H,8-9,12-14H2,1-2H3,(H,24,29)
InChIKeyRFOQAEWREJDKMY-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098298
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098297
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95098315
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098495
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098496
(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098686
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155687
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95098519
N-[(4-methylphenyl)methyl]-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155746
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155688
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 53155660) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(CNC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)c1.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RFOQAEWREJDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(27)25-9-8-17-11-19(6-7-21(17)25)26-14-18(12-22(26)28)23(29)24-13-16-4-3-5-20(10-16)30-2/h3-7,10-11,18H,8-9,12-14H2,1-2H3,(H,24,29).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).