2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C19H23N5O2 — CID 91787310

IUPAC2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NC(C)Cn3cncn3)c12
InChIInChI=1S/C19H23N5O2/c1-4-15-6-5-7-16-17(14(3)25)9-23(19(15)16)10-18(26)22-13(2)8-24-12-20-11-21-24/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,22,26)
InChIKeyCUUAKKFAZTUVDB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.20
Rot. Bonds7

About 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 91787310) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID91787310
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCc1cccc2c(C(C)=O)cn(CC(=O)NC(C)Cn3cncn3)c12
InChIInChI=1S/C19H23N5O2/c1-4-15-6-5-7-16-17(14(3)25)9-23(19(15)16)10-18(26)22-13(2)8-24-12-20-11-21-24/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,22,26)
InChIKeyCUUAKKFAZTUVDB-UHFFFAOYSA-N
XLogP2.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
2-(3-acetyl-7-ethylindol-1-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
CID 118769075
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 119059159
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 60518405
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
2-(3-acetyl-7-ethylindol-1-yl)-N-[2-[(3S)-oxan-3-yl]ethyl]acetamide
CID 125158902
2-(3-acetyl-7-ethylindol-1-yl)-N-[(4-methyl-1,4-oxazepan-6-yl)methyl]acetamide
CID 91768528
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 91787310) is 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is CCc1cccc2c(C(C)=O)cn(CC(=O)NC(C)Cn3cncn3)c12.
What is the InChIKey of 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is CUUAKKFAZTUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-15-6-5-7-16-17(14(3)25)9-23(19(15)16)10-18(26)22-13(2)8-24-12-20-11-21-24/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,22,26).
What are the key properties of 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-7-ethylindol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 91787310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).