2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide

C22H25N3O2 — CID 9356953

IUPAC2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-13-23-20(26)15-25(2)21(16-9-5-4-6-10-16)22(27)18-14-24-19-12-8-7-11-17(18)19/h4-12,14,21,24H,3,13,15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyAUXFAJARKXGICP-OAQYLSRUSA-N
MW363.46 g/mol
LogP3.55
Rot. Bonds8

About 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide

2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide (PubChem CID 9356953) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
PubChem CID9356953
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-13-23-20(26)15-25(2)21(16-9-5-4-6-10-16)22(27)18-14-24-19-12-8-7-11-17(18)19/h4-12,14,21,24H,3,13,15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyAUXFAJARKXGICP-OAQYLSRUSA-N
XLogP3.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
CID 9356635
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazine-1,4-diium-1-yl]-N-propylacetamide
CID 8774223
N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
CID 24506580
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-4-(propylamino)butanoate
CID 95316821
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356605
2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9356616

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide (CID 9356953) is 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide?
The InChIKey is AUXFAJARKXGICP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-13-23-20(26)15-25(2)21(16-9-5-4-6-10-16)22(27)18-14-24-19-12-8-7-11-17(18)19/h4-12,14,21,24H,3,13,15H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide?
2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide has a molecular weight of 363.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9356953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).