(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate

C20H20N2O3 — CID 86906520

IUPAC(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
SMILESCC(OC(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15(20(24)21-17-8-3-2-4-9-17)25-19(23)12-14-22-13-11-16-7-5-6-10-18(16)22/h2-11,13,15H,12,14H2,1H3,(H,21,24)
InChIKeyDHCNJRBTTNDPBP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.60
Rot. Bonds6

About (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate

(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate (PubChem CID 86906520) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
PubChem CID86906520
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
SMILESCC(OC(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15(20(24)21-17-8-3-2-4-9-17)25-19(23)12-14-22-13-11-16-7-5-6-10-18(16)22/h2-11,13,15H,12,14H2,1H3,(H,21,24)
InChIKeyDHCNJRBTTNDPBP-UHFFFAOYSA-N
XLogP3.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-indol-1-ylpropanoate
CID 55378756
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-indol-1-ylpropanoate
CID 55562675
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 22109874
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444335
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
(2-fluorophenyl) 3-indol-1-ylpropanoate
CID 86919496
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate (CID 86906520) is (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate is CC(OC(=O)CCn1ccc2ccccc21)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate?
The InChIKey is DHCNJRBTTNDPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15(20(24)21-17-8-3-2-4-9-17)25-19(23)12-14-22-13-11-16-7-5-6-10-18(16)22/h2-11,13,15H,12,14H2,1H3,(H,21,24).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate?
(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate has a molecular weight of 336.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate is sourced from PubChem (CID 86906520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).