(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H24N4O3 — CID 39377504

IUPAC(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c28-21(24-11-10-16-13-25-20-9-5-4-8-19(16)20)14-26-23(30)17-12-22(29)27(15-17)18-6-2-1-3-7-18/h1-9,13,17,25H,10-12,14-15H2,(H,24,28)(H,26,30)/t17-/m0/s1
InChIKeyLNUTUEVLKSOBNI-KRWDZBQOSA-N
MW404.47 g/mol
LogP2.00
Rot. Bonds7

About (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39377504) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39377504
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c28-21(24-11-10-16-13-25-20-9-5-4-8-19(16)20)14-26-23(30)17-12-22(29)27(15-17)18-6-2-1-3-7-18/h1-9,13,17,25H,10-12,14-15H2,(H,24,28)(H,26,30)/t17-/m0/s1
InChIKeyLNUTUEVLKSOBNI-KRWDZBQOSA-N
XLogP2.00
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651962
(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29140215
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
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
1-(2,6-difluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113192260
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39377504) is (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is LNUTUEVLKSOBNI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(24-11-10-16-13-25-20-9-5-4-8-19(16)20)14-26-23(30)17-12-22(29)27(15-17)18-6-2-1-3-7-18/h1-9,13,17,25H,10-12,14-15H2,(H,24,28)(H,26,30)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39377504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).