N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide

C16H21N3O3 — CID 69434044

IUPACN-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
SMILESCOc1c(O[C@@H]2CCC[C@H](NC(C)=O)C2)ccc2[nH]ncc12
InChIInChI=1S/C16H21N3O3/c1-10(20)18-11-4-3-5-12(8-11)22-15-7-6-14-13(9-17-19-14)16(15)21-2/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+/m0/s1
InChIKeyBISSROSEOYVZAQ-NWDGAFQWSA-N
MW303.36 g/mol
LogP2.40
Rot. Bonds4

About N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide

N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide (PubChem CID 69434044) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
PubChem CID69434044
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
SMILESCOc1c(O[C@@H]2CCC[C@H](NC(C)=O)C2)ccc2[nH]ncc12
InChIInChI=1S/C16H21N3O3/c1-10(20)18-11-4-3-5-12(8-11)22-15-7-6-14-13(9-17-19-14)16(15)21-2/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+/m0/s1
InChIKeyBISSROSEOYVZAQ-NWDGAFQWSA-N
XLogP2.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide?
The IUPAC name of N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide (CID 69434044) is N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide?
The canonical SMILES for N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide is COc1c(O[C@@H]2CCC[C@H](NC(C)=O)C2)ccc2[nH]ncc12.
What is the InChIKey of N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide?
The InChIKey is BISSROSEOYVZAQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(20)18-11-4-3-5-12(8-11)22-15-7-6-14-13(9-17-19-14)16(15)21-2/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide?
N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 69434044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).