methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate

C23H23N3O4 — CID 30875257

IUPACmethyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-30-23(29)19-14-26(20-9-3-2-8-18(19)20)15-21(27)24-17-7-4-6-16(12-17)13-25-11-5-10-22(25)28/h2-4,6-9,12,14H,5,10-11,13,15H2,1H3,(H,24,27)
InChIKeySPDFEIPSMNYBOM-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.19
Rot. Bonds6

About methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate

methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate (PubChem CID 30875257) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
PubChem CID30875257
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Namemethyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-30-23(29)19-14-26(20-9-3-2-8-18(19)20)15-21(27)24-17-7-4-6-16(12-17)13-25-11-5-10-22(25)28/h2-4,6-9,12,14H,5,10-11,13,15H2,1H3,(H,24,27)
InChIKeySPDFEIPSMNYBOM-UHFFFAOYSA-N
XLogP3.19
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-2-oxoethyl]indole-3-carboxylate
CID 30804609
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
CID 29335276
methyl 2-[3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]acetate
CID 99588705
methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34038418
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
methyl 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]indole-3-carboxylate
CID 31020646
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30873107
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate
CID 46419706
3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360462

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate (CID 30875257) is methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c2ccccc12.
What is the InChIKey of methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate?
The InChIKey is SPDFEIPSMNYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-30-23(29)19-14-26(20-9-3-2-8-18(19)20)15-21(27)24-17-7-4-6-16(12-17)13-25-11-5-10-22(25)28/h2-4,6-9,12,14H,5,10-11,13,15H2,1H3,(H,24,27).
What are the key properties of methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate?
methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate is sourced from PubChem (CID 30875257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).