2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C22H25N3O4 — CID 4919452

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C22H25N3O4/c1-15(26)25-21(13-16-14-24-20-6-4-3-5-19(16)20)22(27)23-11-12-29-18-9-7-17(28-2)8-10-18/h3-10,14,21,24H,11-13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyBZCFPXLZBADELJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.42
Rot. Bonds9

About 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 4919452) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID4919452
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C22H25N3O4/c1-15(26)25-21(13-16-14-24-20-6-4-3-5-19(16)20)22(27)23-11-12-29-18-9-7-17(28-2)8-10-18/h3-10,14,21,24H,11-13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyBZCFPXLZBADELJ-UHFFFAOYSA-N
XLogP2.42
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 25371790
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
2-(4-methylphenoxy)ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8849696
(2R)-3-(1H-indol-3-yl)-2-[2-(4-methylphenoxy)ethylcarbamoylamino]propanoic acid
CID 51519410
(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 102169963
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325855
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35352621
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-3-(1H-indol-3-yl)-N-penta-3,4-dienylpropanamide
CID 166306258

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 4919452) is 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is BZCFPXLZBADELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(26)25-21(13-16-14-24-20-6-4-3-5-19(16)20)22(27)23-11-12-29-18-9-7-17(28-2)8-10-18/h3-10,14,21,24H,11-13H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 4919452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).