(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H26N2O2 — CID 95353111

IUPAC(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H26N2O2/c1-13(14-6-7-14)21(2)20(24)17-11-19(23)22(12-17)18-9-8-15-4-3-5-16(15)10-18/h8-10,13-14,17H,3-7,11-12H2,1-2H3/t13-,17-/m1/s1
InChIKeyZROQNPUSNHCEGT-CXAGYDPISA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds4

About (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95353111) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95353111
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H26N2O2/c1-13(14-6-7-14)21(2)20(24)17-11-19(23)22(12-17)18-9-8-15-4-3-5-16(15)10-18/h8-10,13-14,17H,3-7,11-12H2,1-2H3/t13-,17-/m1/s1
InChIKeyZROQNPUSNHCEGT-CXAGYDPISA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97194074
(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)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
(4-methylphenyl) 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 43059386
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
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-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95353111) is (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZROQNPUSNHCEGT-CXAGYDPISA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(14-6-7-14)21(2)20(24)17-11-19(23)22(12-17)18-9-8-15-4-3-5-16(15)10-18/h8-10,13-14,17H,3-7,11-12H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95353111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).