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

C22H25N3O2 — CID 51164456

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-4-5-9-18(14)15(2)24-22(27)21(25-16(3)26)12-17-13-23-20-11-7-6-10-19(17)20/h4-11,13,15,21,23H,12H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyQDXFURQMJMGNGV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.40
Rot. Bonds6

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

2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 51164456) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID51164456
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-4-5-9-18(14)15(2)24-22(27)21(25-16(3)26)12-17-13-23-20-11-7-6-10-19(17)20/h4-11,13,15,21,23H,12H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyQDXFURQMJMGNGV-UHFFFAOYSA-N
XLogP3.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 78878483
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
S-propyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanethioate
CID 132918986
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide (CID 51164456) is 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1C.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is QDXFURQMJMGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-8-4-5-9-18(14)15(2)24-22(27)21(25-16(3)26)12-17-13-23-20-11-7-6-10-19(17)20/h4-11,13,15,21,23H,12H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51164456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).