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

C23H30N2O — CID 7689156

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)25-22(26)7-6-19-14-24-21-5-3-2-4-20(19)21/h2-5,14-18,24H,6-13H2,1H3,(H,25,26)/t15-,16?,17?,18?,23?/m0/s1
InChIKeyBIKITENIDVFKBB-SCUMNGBJSA-N
MW350.51 g/mol
LogP4.82
Rot. Bonds5

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

N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 7689156) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID7689156
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)25-22(26)7-6-19-14-24-21-5-3-2-4-20(19)21/h2-5,14-18,24H,6-13H2,1H3,(H,25,26)/t15-,16?,17?,18?,23?/m0/s1
InChIKeyBIKITENIDVFKBB-SCUMNGBJSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4810855
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169318
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664572
2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 55349859
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 7689156) is N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide is C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is BIKITENIDVFKBB-SCUMNGBJSA-N. The full InChI is InChI=1S/C23H30N2O/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)25-22(26)7-6-19-14-24-21-5-3-2-4-20(19)21/h2-5,14-18,24H,6-13H2,1H3,(H,25,26)/t15-,16?,17?,18?,23?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 7689156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).