N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C20H27N5O — CID 50953772

IUPACN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCCn1cnnc1C(C)NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C20H27N5O/c1-6-7-25-11-21-24-20(25)15(5)22-18(26)10-16-14(4)23-19-13(3)8-12(2)9-17(16)19/h8-9,11,15,23H,6-7,10H2,1-5H3,(H,22,26)
InChIKeyTVXLZFCPQFXMDZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 50953772) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID50953772
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCCn1cnnc1C(C)NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C20H27N5O/c1-6-7-25-11-21-24-20(25)15(5)22-18(26)10-16-14(4)23-19-13(3)8-12(2)9-17(16)19/h8-9,11,15,23H,6-7,10H2,1-5H3,(H,22,26)
InChIKeyTVXLZFCPQFXMDZ-UHFFFAOYSA-N
XLogP3.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 16113248
2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
(2S)-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 23648242
(3S)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 23648246
N-[6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822922
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-(dimethylamino)-4-(methylaminomethyl)-3H-isoindol-1-one
CID 157038858
N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 23648250
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 23648233
2-amino-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648235
(2S)-2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]propanamide
CID 23648238
(2S)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 23648240
(2R)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 23648247

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 50953772) is N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is CCCn1cnnc1C(C)NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12.
What is the InChIKey of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is TVXLZFCPQFXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-6-7-25-11-21-24-20(25)15(5)22-18(26)10-16-14(4)23-19-13(3)8-12(2)9-17(16)19/h8-9,11,15,23H,6-7,10H2,1-5H3,(H,22,26).
What are the key properties of N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 50953772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).