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

C23H26N4O2 — CID 166250312

IUPAC2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC(Nc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c1-15(28)25-22(11-16-14-24-21-10-6-5-9-20(16)21)23(29)27-19-12-18(13-19)26-17-7-3-2-4-8-17/h2-10,14,18-19,22,24,26H,11-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyGPAKGSHCCURVKW-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.97
Rot. Bonds7

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

2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 166250312) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID166250312
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC(Nc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c1-15(28)25-22(11-16-14-24-21-10-6-5-9-20(16)21)23(29)27-19-12-18(13-19)26-17-7-3-2-4-8-17/h2-10,14,18-19,22,24,26H,11-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyGPAKGSHCCURVKW-UHFFFAOYSA-N
XLogP2.97
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 55349859
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-acetamido-3-(1H-indol-3-yl)propanamide
CID 154839678
(2R)-2-acetamido-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(1H-indol-3-yl)propanamide
CID 41414808
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide (CID 166250312) is 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC(Nc2ccccc2)C1.
What is the InChIKey of 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is GPAKGSHCCURVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(28)25-22(11-16-14-24-21-10-6-5-9-20(16)21)23(29)27-19-12-18(13-19)26-17-7-3-2-4-8-17/h2-10,14,18-19,22,24,26H,11-13H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 166250312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).