3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

C22H26N2O3 — CID 91634966

IUPAC3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCCOc1ccc(C(CC(=O)NCCOC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-17-10-8-16(9-11-17)19(14-22(25)23-12-13-26-2)20-15-24-21-7-5-4-6-18(20)21/h4-11,15,19,24H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyBPZKGXPDAWIGID-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.85
Rot. Bonds9

About 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 91634966) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
PubChem CID91634966
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCCOc1ccc(C(CC(=O)NCCOC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-17-10-8-16(9-11-17)19(14-22(25)23-12-13-26-2)20-15-24-21-7-5-4-6-18(20)21/h4-11,15,19,24H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyBPZKGXPDAWIGID-UHFFFAOYSA-N
XLogP3.85
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42804547
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42802192

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (CID 91634966) is 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is CCOc1ccc(C(CC(=O)NCCOC)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is BPZKGXPDAWIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-17-10-8-16(9-11-17)19(14-22(25)23-12-13-26-2)20-15-24-21-7-5-4-6-18(20)21/h4-11,15,19,24H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 91634966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).