methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate

C23H23N3O4 — CID 46419706

IUPACmethyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-30-23(29)18-14-26(20-11-5-3-8-16(18)20)15-21(27)24-19-10-4-2-9-17(19)22(28)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,27)
InChIKeySWSASYSWVUIORU-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.30
Rot. Bonds5

About methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate

methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate (PubChem CID 46419706) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate
PubChem CID46419706
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Namemethyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C23H23N3O4/c1-30-23(29)18-14-26(20-11-5-3-8-16(18)20)15-21(27)24-19-10-4-2-9-17(19)22(28)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,27)
InChIKeySWSASYSWVUIORU-UHFFFAOYSA-N
XLogP3.30
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419716
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate (CID 46419706) is methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate?
The InChIKey is SWSASYSWVUIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-30-23(29)18-14-26(20-11-5-3-8-16(18)20)15-21(27)24-19-10-4-2-9-17(19)22(28)25-12-6-7-13-25/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,27).
What are the key properties of methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate?
methyl 1-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.30, 5 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-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]indole-3-carboxylate is sourced from PubChem (CID 46419706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).