(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O4 — CID 42560657

IUPAC(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)CC3=O)c2c1
InChIInChI=1S/C24H26N4O4/c1-15(29)26-18-4-3-5-19(11-18)27-24(31)17-10-23(30)28(14-17)9-8-16-13-25-22-7-6-20(32-2)12-21(16)22/h3-7,11-13,17,25H,8-10,14H2,1-2H3,(H,26,29)(H,27,31)/t17-/m0/s1
InChIKeyKAHVCUBMYKZXJU-KRWDZBQOSA-N
MW434.50 g/mol
LogP3.16
Rot. Bonds7

About (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42560657) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42560657
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)CC3=O)c2c1
InChIInChI=1S/C24H26N4O4/c1-15(29)26-18-4-3-5-19(11-18)27-24(31)17-10-23(30)28(14-17)9-8-16-13-25-22-7-6-20(32-2)12-21(16)22/h3-7,11-13,17,25H,8-10,14H2,1-2H3,(H,26,29)(H,27,31)/t17-/m0/s1
InChIKeyKAHVCUBMYKZXJU-KRWDZBQOSA-N
XLogP3.16
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29066813
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 17204443
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42560657) is (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)CC3=O)c2c1.
What is the InChIKey of (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KAHVCUBMYKZXJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15(29)26-18-4-3-5-19(11-18)27-24(31)17-10-23(30)28(14-17)9-8-16-13-25-22-7-6-20(32-2)12-21(16)22/h3-7,11-13,17,25H,8-10,14H2,1-2H3,(H,26,29)(H,27,31)/t17-/m0/s1.
What are the key properties of (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42560657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).