N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide

C17H21N5O3 — CID 91823188

IUPACN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
SMILESCOCc1nc(NC(=O)COc2cccc3c2ccn3C(C)C)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-11(2)22-8-7-12-13(22)5-4-6-14(12)25-10-16(23)19-17-18-15(9-24-3)20-21-17/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyCUBGNMJOYWYGKZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.50
Rot. Bonds7

About N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide

N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide (PubChem CID 91823188) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
PubChem CID91823188
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
SMILESCOCc1nc(NC(=O)COc2cccc3c2ccn3C(C)C)n[nH]1
InChIInChI=1S/C17H21N5O3/c1-11(2)22-8-7-12-13(22)5-4-6-14(12)25-10-16(23)19-17-18-15(9-24-3)20-21-17/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyCUBGNMJOYWYGKZ-UHFFFAOYSA-N
XLogP2.50
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91821459
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
2-(1-propan-2-ylindol-4-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 91822099
2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 91821588
2-(1-propan-2-ylindol-4-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91822455
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71702741
N-(1,1-dioxothiolan-3-yl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823205
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 124855022
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 110205323
1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
CID 146102064
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The IUPAC name of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide (CID 91823188) is N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide is COCc1nc(NC(=O)COc2cccc3c2ccn3C(C)C)n[nH]1.
What is the InChIKey of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
The InChIKey is CUBGNMJOYWYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(2)22-8-7-12-13(22)5-4-6-14(12)25-10-16(23)19-17-18-15(9-24-3)20-21-17/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,23).
What are the key properties of N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide?
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide has a molecular weight of 343.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide is sourced from PubChem (CID 91823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).