(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H23N3O3 — CID 7263441

IUPAC(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-28-18-8-6-17(7-9-18)25-14-16(12-21(25)26)22(27)23-11-10-15-13-24-20-5-3-2-4-19(15)20/h2-9,13,16,24H,10-12,14H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyOPROBHXOOLYWGG-MRXNPFEDSA-N
MW377.44 g/mol
LogP2.89
Rot. Bonds6

About (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7263441) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7263441
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-28-18-8-6-17(7-9-18)25-14-16(12-21(25)26)22(27)23-11-10-15-13-24-20-5-3-2-4-19(15)20/h2-9,13,16,24H,10-12,14H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyOPROBHXOOLYWGG-MRXNPFEDSA-N
XLogP2.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29140215
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651962
(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39377504
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 42534750
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
1-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187381
(3S)-1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51572628

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7263441) is (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1.
What is the InChIKey of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OPROBHXOOLYWGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-18-8-6-17(7-9-18)25-14-16(12-21(25)26)22(27)23-11-10-15-13-24-20-5-3-2-4-19(15)20/h2-9,13,16,24H,10-12,14H2,1H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7263441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).