(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C22H24N2O3 — CID 94333773

IUPAC(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H24N2O3/c25-14-18-5-2-1-4-17(18)12-23-22(27)19-11-21(26)24(13-19)20-9-8-15-6-3-7-16(15)10-20/h1-2,4-5,8-10,19,25H,3,6-7,11-14H2,(H,23,27)/t19-/m0/s1
InChIKeyGAKODVRSMIEWHT-IBGZPJMESA-N
MW364.45 g/mol
LogP2.34
Rot. Bonds5

About (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94333773) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94333773
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H24N2O3/c25-14-18-5-2-1-4-17(18)12-23-22(27)19-11-21(26)24(13-19)20-9-8-15-6-3-7-16(15)10-20/h1-2,4-5,8-10,19,25H,3,6-7,11-14H2,(H,23,27)/t19-/m0/s1
InChIKeyGAKODVRSMIEWHT-IBGZPJMESA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802767
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 97185349
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55578932
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 94333773) is (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1CO)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GAKODVRSMIEWHT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O3/c25-14-18-5-2-1-4-17(18)12-23-22(27)19-11-21(26)24(13-19)20-9-8-15-6-3-7-16(15)10-20/h1-2,4-5,8-10,19,25H,3,6-7,11-14H2,(H,23,27)/t19-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94333773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).