N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide

C18H26N4O3 — CID 91790527

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C18H26N4O3/c1-22(2)8-10-25-17-12-24-9-7-15(17)19-18(23)11-16-13-5-3-4-6-14(13)20-21-16/h3-6,15,17H,7-12H2,1-2H3,(H,19,23)(H,20,21)/t15-,17-/m1/s1
InChIKeyNTOYUJJXWKNBQK-NVXWUHKLSA-N
MW346.43 g/mol
LogP0.96
Rot. Bonds7

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 91790527) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
PubChem CID91790527
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C18H26N4O3/c1-22(2)8-10-25-17-12-24-9-7-15(17)19-18(23)11-16-13-5-3-4-6-14(13)20-21-16/h3-6,15,17H,7-12H2,1-2H3,(H,19,23)(H,20,21)/t15-,17-/m1/s1
InChIKeyNTOYUJJXWKNBQK-NVXWUHKLSA-N
XLogP0.96
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 135097685
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
2-(2H-indazol-3-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120574124

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide (CID 91790527) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is NTOYUJJXWKNBQK-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-22(2)8-10-25-17-12-24-9-7-15(17)19-18(23)11-16-13-5-3-4-6-14(13)20-21-16/h3-6,15,17H,7-12H2,1-2H3,(H,19,23)(H,20,21)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 91790527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).