N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C21H23N3O4 — CID 131951832

IUPACN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2=O)c1
InChIInChI=1S/C21H23N3O4/c1-12-19(20-16(22-12)7-4-8-17(20)25)21(27)23-13-9-18(26)24(11-13)14-5-3-6-15(10-14)28-2/h3,5-6,10,13,22H,4,7-9,11H2,1-2H3,(H,23,27)
InChIKeyXKILHZYIYVYINL-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 131951832) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID131951832
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2=O)c1
InChIInChI=1S/C21H23N3O4/c1-12-19(20-16(22-12)7-4-8-17(20)25)21(27)23-13-9-18(26)24(11-13)14-5-3-6-15(10-14)28-2/h3,5-6,10,13,22H,4,7-9,11H2,1-2H3,(H,23,27)
InChIKeyXKILHZYIYVYINL-UHFFFAOYSA-N
XLogP2.39
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91765820
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
1-(3,4-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544500
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 95711318
3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548122
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 131951832) is N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is COc1cccc(N2CC(NC(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is XKILHZYIYVYINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12-19(20-16(22-12)7-4-8-17(20)25)21(27)23-13-9-18(26)24(11-13)14-5-3-6-15(10-14)28-2/h3,5-6,10,13,22H,4,7-9,11H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 131951832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).