2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide

C22H24N6O — CID 90391862

IUPAC2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C22H24N6O/c23-13-21(29)25-19(12-16-14-24-18-9-5-4-8-17(16)18)22-26-20(27-28-22)11-10-15-6-2-1-3-7-15/h1-9,14,19,24H,10-13,23H2,(H,25,29)(H,26,27,28)/t19-/m1/s1
InChIKeyIUAOUKZQUQZOMM-LJQANCHMSA-N
MW388.48 g/mol
LogP2.43
Rot. Bonds8

About 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide

2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 90391862) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID90391862
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1n[nH]c(CCc2ccccc2)n1
InChIInChI=1S/C22H24N6O/c23-13-21(29)25-19(12-16-14-24-18-9-5-4-8-17(16)18)22-26-20(27-28-22)11-10-15-6-2-1-3-7-15/h1-9,14,19,24H,10-13,23H2,(H,25,29)(H,26,27,28)/t19-/m1/s1
InChIKeyIUAOUKZQUQZOMM-LJQANCHMSA-N
XLogP2.43
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 18221172
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18486612
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18491694
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid
CID 145455702
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid
CID 11512866
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 71443936
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 25232584
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 141285325
4-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 18221163

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide (CID 90391862) is 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide is NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1n[nH]c(CCc2ccccc2)n1.
What is the InChIKey of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is IUAOUKZQUQZOMM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N6O/c23-13-21(29)25-19(12-16-14-24-18-9-5-4-8-17(16)18)22-26-20(27-28-22)11-10-15-6-2-1-3-7-15/h1-9,14,19,24H,10-13,23H2,(H,25,29)(H,26,27,28)/t19-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide?
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 90391862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).