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

C24H26N4O4 — CID 42653320

IUPACN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)c1
InChIInChI=1S/C24H26N4O4/c1-27-20-9-4-3-6-16(20)12-21(27)24(31)26-11-10-25-23(30)17-13-22(29)28(15-17)18-7-5-8-19(14-18)32-2/h3-9,12,14,17H,10-11,13,15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyOUZMIMXZGCZLIA-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.09
Rot. Bonds7

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

N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide (PubChem CID 42653320) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide
PubChem CID42653320
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)c1
InChIInChI=1S/C24H26N4O4/c1-27-20-9-4-3-6-16(20)12-21(27)24(31)26-11-10-25-23(30)17-13-22(29)28(15-17)18-7-5-8-19(14-18)32-2/h3-9,12,14,17H,10-11,13,15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyOUZMIMXZGCZLIA-UHFFFAOYSA-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-(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
N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39349849
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
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-(2-cyclohexylethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46548075

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide (CID 42653320) is N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide is COc1cccc(N2CC(C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)c1.
What is the InChIKey of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide?
The InChIKey is OUZMIMXZGCZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27-20-9-4-3-6-16(20)12-21(27)24(31)26-11-10-25-23(30)17-13-22(29)28(15-17)18-7-5-8-19(14-18)32-2/h3-9,12,14,17H,10-11,13,15H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide?
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-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-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 42653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).