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

C24H26N4O4 — CID 29140215

IUPAC(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-19-8-6-18(7-9-19)28-15-17(12-23(28)30)24(31)27-14-22(29)25-11-10-16-13-26-21-5-3-2-4-20(16)21/h2-9,13,17,26H,10-12,14-15H2,1H3,(H,25,29)(H,27,31)/t17-/m1/s1
InChIKeyAMDVCWSVNLXIOA-QGZVFWFLSA-N
MW434.50 g/mol
LogP2.00
Rot. Bonds8

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

(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29140215) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29140215
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-19-8-6-18(7-9-19)28-15-17(12-23(28)30)24(31)27-14-22(29)25-11-10-16-13-26-21-5-3-2-4-20(16)21/h2-9,13,17,26H,10-12,14-15H2,1H3,(H,25,29)(H,27,31)/t17-/m1/s1
InChIKeyAMDVCWSVNLXIOA-QGZVFWFLSA-N
XLogP2.00
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39377504
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651962
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 42534750
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
(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)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 29140215) is (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1.
What is the InChIKey of (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AMDVCWSVNLXIOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-19-8-6-18(7-9-19)28-15-17(12-23(28)30)24(31)27-14-22(29)25-11-10-16-13-26-21-5-3-2-4-20(16)21/h2-9,13,17,26H,10-12,14-15H2,1H3,(H,25,29)(H,27,31)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29140215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).