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

C25H33N3O2 — CID 55349859

IUPAC2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H33N3O2/c1-15(25-11-17-7-18(12-25)9-19(8-17)13-25)27-24(30)23(28-16(2)29)10-20-14-26-22-6-4-3-5-21(20)22/h3-6,14-15,17-19,23,26H,7-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyWVOWNVJWDJLZTG-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.94
Rot. Bonds6

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

2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55349859) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55349859
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H33N3O2/c1-15(25-11-17-7-18(12-25)9-19(8-17)13-25)27-24(30)23(28-16(2)29)10-20-14-26-22-6-4-3-5-21(20)22/h3-6,14-15,17-19,23,26H,7-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyWVOWNVJWDJLZTG-UHFFFAOYSA-N
XLogP3.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.94
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
N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 7689156
N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4810855
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-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
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-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
CID 166250312
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169318

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 55349859) is 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WVOWNVJWDJLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-15(25-11-17-7-18(12-25)9-19(8-17)13-25)27-24(30)23(28-16(2)29)10-20-14-26-22-6-4-3-5-21(20)22/h3-6,14-15,17-19,23,26H,7-13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55349859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).