methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate

C24H22N2O3 — CID 35028911

IUPACmethyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCCc2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C24H22N2O3/c1-29-24(28)21-15-26(22-9-5-4-8-20(21)22)16-23(27)25-13-12-17-10-11-18-6-2-3-7-19(18)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,25,27)
InChIKeyJPUGMJUFLAOPHN-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.94
Rot. Bonds6

About methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate (PubChem CID 35028911) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
PubChem CID35028911
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCCc2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C24H22N2O3/c1-29-24(28)21-15-26(22-9-5-4-8-20(21)22)16-23(27)25-13-12-17-10-11-18-6-2-3-7-19(18)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,25,27)
InChIKeyJPUGMJUFLAOPHN-UHFFFAOYSA-N
XLogP3.94
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate
CID 36660893
methyl 1-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]indole-3-carboxylate
CID 46434107
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]indole-3-carboxylate
CID 29219230
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697
N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate (CID 35028911) is methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)NCCc2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is JPUGMJUFLAOPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-29-24(28)21-15-26(22-9-5-4-8-20(21)22)16-23(27)25-13-12-17-10-11-18-6-2-3-7-19(18)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,25,27).
What are the key properties of methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 35028911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).