N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide

C23H27N3O3 — CID 113056143

IUPACN-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(C)cc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-17-7-9-20(10-8-17)29-16-23(28)24-12-14-26(18(2)27)13-11-19-15-25-22-6-4-3-5-21(19)22/h3-10,15,25H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyCYSLVORYUHJJOW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.06
Rot. Bonds9

About N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide

N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113056143) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113056143
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(C)cc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-17-7-9-20(10-8-17)29-16-23(28)24-12-14-26(18(2)27)13-11-19-15-25-22-6-4-3-5-21(19)22/h3-10,15,25H,11-14,16H2,1-2H3,(H,24,28)
InChIKeyCYSLVORYUHJJOW-UHFFFAOYSA-N
XLogP3.06
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
(2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 6958099

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide (CID 113056143) is N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide is CC(=O)N(CCNC(=O)COc1ccc(C)cc1)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is CYSLVORYUHJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-7-9-20(10-8-17)29-16-23(28)24-12-14-26(18(2)27)13-11-19-15-25-22-6-4-3-5-21(19)22/h3-10,15,25H,11-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113056143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).