N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

C17H23N3O3 — CID 125159688

IUPACN-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESCCn1nc(CNC(=O)COC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-2-20-16-8-4-3-7-14(16)15(19-20)10-18-17(21)12-22-11-13-6-5-9-23-13/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyKBKLEZPCJLTHPD-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.87
Rot. Bonds7

About N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (PubChem CID 125159688) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
PubChem CID125159688
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESCCn1nc(CNC(=O)COC[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-2-20-16-8-4-3-7-14(16)15(19-20)10-18-17(21)12-22-11-13-6-5-9-23-13/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyKBKLEZPCJLTHPD-CYBMUJFWSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785859
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 124969560
2-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]acetamide
CID 129489600
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (CID 125159688) is N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is CCn1nc(CNC(=O)COC[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is KBKLEZPCJLTHPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-20-16-8-4-3-7-14(16)15(19-20)10-18-17(21)12-22-11-13-6-5-9-23-13/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 125159688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).