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

C23H25N5O — CID 136698048

IUPACN-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)Cc1c(-c2n[nH]c(CCc3ccccc3)n2)[nH]c2ccccc12
InChIInChI=1S/C23H25N5O/c1-15(24-16(2)29)14-19-18-10-6-7-11-20(18)25-22(19)23-26-21(27-28-23)13-12-17-8-4-3-5-9-17/h3-11,15,25H,12-14H2,1-2H3,(H,24,29)(H,26,27,28)/t15-/m1/s1
InChIKeyBBMLVSFVVRYKKD-OAHLLOKOSA-N
MW387.49 g/mol
LogP3.81
Rot. Bonds7

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

N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide (PubChem CID 136698048) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide
PubChem CID136698048
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)Cc1c(-c2n[nH]c(CCc3ccccc3)n2)[nH]c2ccccc12
InChIInChI=1S/C23H25N5O/c1-15(24-16(2)29)14-19-18-10-6-7-11-20(18)25-22(19)23-26-21(27-28-23)13-12-17-8-4-3-5-9-17/h3-11,15,25H,12-14H2,1-2H3,(H,24,29)(H,26,27,28)/t15-/m1/s1
InChIKeyBBMLVSFVVRYKKD-OAHLLOKOSA-N
XLogP3.81
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-acetamidopropyl]-1H-indole-2-carboxylate
CID 6936228
N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide
CID 136811747
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
methyl 2-acetamido-3-(2-phenyl-1H-indol-3-yl)propanoate
CID 102519475
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 90391862
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846860
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(2S)-2-acetamido-3-[2-(4-methoxybenzoyl)-1H-indol-3-yl]propanoic acid
CID 175508915

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide (CID 136698048) is N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide is CC(=O)N[C@H](C)Cc1c(-c2n[nH]c(CCc3ccccc3)n2)[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide?
The InChIKey is BBMLVSFVVRYKKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15(24-16(2)29)14-19-18-10-6-7-11-20(18)25-22(19)23-26-21(27-28-23)13-12-17-8-4-3-5-9-17/h3-11,15,25H,12-14H2,1-2H3,(H,24,29)(H,26,27,28)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide?
N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 136698048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).