[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate

C22H23N3O5 — CID 55325855

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C22H23N3O5/c1-14(26)24-20(11-15-12-23-19-6-4-3-5-18(15)19)22(28)30-13-21(27)25-16-7-9-17(29-2)10-8-16/h3-10,12,20,23H,11,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZUAGGQFZCZPOAP-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.41
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate (PubChem CID 55325855) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
PubChem CID55325855
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C22H23N3O5/c1-14(26)24-20(11-15-12-23-19-6-4-3-5-18(15)19)22(28)30-13-21(27)25-16-7-9-17(29-2)10-8-16/h3-10,12,20,23H,11,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZUAGGQFZCZPOAP-UHFFFAOYSA-N
XLogP2.41
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325867
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573480
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55927413
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325815
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55936465
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55927863
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573513
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8849772
[2-[4-(diethylamino)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoate
CID 40858233
[2-(benzylcarbamoylamino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55927880
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2389155
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 25371790

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate (CID 55325855) is [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate is COc1ccc(NC(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate?
The InChIKey is ZUAGGQFZCZPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(26)24-20(11-15-12-23-19-6-4-3-5-18(15)19)22(28)30-13-21(27)25-16-7-9-17(29-2)10-8-16/h3-10,12,20,23H,11,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate has a molecular weight of 409.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 55325855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).