3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C18H25N3O3 — CID 113116924

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H25N3O3/c1-14(22)21(11-12-24-2)10-8-18(23)19-9-7-15-13-20-17-6-4-3-5-16(15)17/h3-6,13,20H,7-12H2,1-2H3,(H,19,23)
InChIKeyQCYIQFFCUYAAGO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.71
Rot. Bonds9

About 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 113116924) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID113116924
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H25N3O3/c1-14(22)21(11-12-24-2)10-8-18(23)19-9-7-15-13-20-17-6-4-3-5-16(15)17/h3-6,13,20H,7-12H2,1-2H3,(H,19,23)
InChIKeyQCYIQFFCUYAAGO-UHFFFAOYSA-N
XLogP1.71
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113056143

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 113116924) is 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is COCCN(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is QCYIQFFCUYAAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)21(11-12-24-2)10-8-18(23)19-9-7-15-13-20-17-6-4-3-5-16(15)17/h3-6,13,20H,7-12H2,1-2H3,(H,19,23).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113116924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).