2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide

C21H23N3O2 — CID 4224605

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14(16-8-4-3-5-9-16)23-21(26)20(24-15(2)25)12-17-13-22-19-11-7-6-10-18(17)19/h3-11,13-14,20,22H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyBFIZANKURBNVRD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.09
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide

2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide (PubChem CID 4224605) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
PubChem CID4224605
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-14(16-8-4-3-5-9-16)23-21(26)20(24-15(2)25)12-17-13-22-19-11-7-6-10-18(17)19/h3-11,13-14,20,22H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyBFIZANKURBNVRD-UHFFFAOYSA-N
XLogP3.09
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 78878483
(3R)-3-acetamido-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170278600
S-propyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanethioate
CID 132918986
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide (CID 4224605) is 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is BFIZANKURBNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(16-8-4-3-5-9-16)23-21(26)20(24-15(2)25)12-17-13-22-19-11-7-6-10-18(17)19/h3-11,13-14,20,22H,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.09, 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-phenylethyl)propanamide is sourced from PubChem (CID 4224605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).