N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide

C24H26N4O4 — CID 39349849

IUPACN-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)c1
InChIInChI=1S/C24H26N4O4/c1-27-15-20(19-8-3-4-9-21(19)27)24(31)26-11-10-25-23(30)16-12-22(29)28(14-16)17-6-5-7-18(13-17)32-2/h3-9,13,15-16H,10-12,14H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1
InChIKeyXIKNRJMYYSQPLJ-MRXNPFEDSA-N
MW434.50 g/mol
LogP2.09
Rot. Bonds7

About N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide

N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide (PubChem CID 39349849) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
PubChem CID39349849
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)c1
InChIInChI=1S/C24H26N4O4/c1-27-15-20(19-8-3-4-9-21(19)27)24(31)26-11-10-25-23(30)16-12-22(29)28(14-16)17-6-5-7-18(13-17)32-2/h3-9,13,15-16H,10-12,14H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1
InChIKeyXIKNRJMYYSQPLJ-MRXNPFEDSA-N
XLogP2.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39312085
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 42653320
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29134608
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 52996715

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide (CID 39349849) is N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide is COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)c1.
What is the InChIKey of N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
The InChIKey is XIKNRJMYYSQPLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27-15-20(19-8-3-4-9-21(19)27)24(31)26-11-10-25-23(30)16-12-22(29)28(14-16)17-6-5-7-18(13-17)32-2/h3-9,13,15-16H,10-12,14H2,1-2H3,(H,25,30)(H,26,31)/t16-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide?
N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 39349849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).