[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C23H20N2O3 — CID 2095378

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c26-22(25-19-11-9-16-5-1-2-6-17(16)13-19)15-28-23(27)12-10-18-14-24-21-8-4-3-7-20(18)21/h1-9,11,13-14,24H,10,12,15H2,(H,25,26)
InChIKeyRDLFTDKJHJGVBE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.44
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2095378) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2095378
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c26-22(25-19-11-9-16-5-1-2-6-17(16)13-19)15-28-23(27)12-10-18-14-24-21-8-4-3-7-20(18)21/h1-9,11,13-14,24H,10,12,15H2,(H,25,26)
InChIKeyRDLFTDKJHJGVBE-UHFFFAOYSA-N
XLogP4.44
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2604349
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55463952
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 3422352
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7662689
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 3466993
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958788
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2095378) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is RDLFTDKJHJGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(25-19-11-9-16-5-1-2-6-17(16)13-19)15-28-23(27)12-10-18-14-24-21-8-4-3-7-20(18)21/h1-9,11,13-14,24H,10,12,15H2,(H,25,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 372.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2095378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).