N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide

C23H24N4O4 — CID 29133184

IUPACN-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4[nH]ccc4c3)CC2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-31-19-5-3-18(4-6-19)27-14-17(13-21(27)28)23(30)26-11-10-25-22(29)16-2-7-20-15(12-16)8-9-24-20/h2-9,12,17,24H,10-11,13-14H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyQBDRIHMOWNYIHT-QGZVFWFLSA-N
MW420.47 g/mol
LogP2.08
Rot. Bonds7

About N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide

N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide (PubChem CID 29133184) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
PubChem CID29133184
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4[nH]ccc4c3)CC2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-31-19-5-3-18(4-6-19)27-14-17(13-21(27)28)23(30)26-11-10-25-22(29)16-2-7-20-15(12-16)8-9-24-20/h2-9,12,17,24H,10-11,13-14H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyQBDRIHMOWNYIHT-QGZVFWFLSA-N
XLogP2.08
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29136194
N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
CID 29134927
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 29131212
N-[2-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 42651319
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
N-(3-formamidopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785659
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide (CID 29133184) is N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4[nH]ccc4c3)CC2=O)cc1.
What is the InChIKey of N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide?
The InChIKey is QBDRIHMOWNYIHT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-31-19-5-3-18(4-6-19)27-14-17(13-21(27)28)23(30)26-11-10-25-22(29)16-2-7-20-15(12-16)8-9-24-20/h2-9,12,17,24H,10-11,13-14H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide?
N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 29133184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).