N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide

C20H28N4O3 — CID 66927836

IUPACN-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1
InChIInChI=1S/C20H28N4O3/c1-14-12-24(13-15(2)27-14)9-10-26-20-6-5-17(22-16(3)25)11-18(20)19-7-8-21-23(19)4/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,22,25)/t14-,15+
InChIKeyFVVJGPJJEZMELB-GASCZTMLSA-N
MW372.47 g/mol
LogP2.53
Rot. Bonds6

About N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide

N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide (PubChem CID 66927836) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
PubChem CID66927836
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1
InChIInChI=1S/C20H28N4O3/c1-14-12-24(13-15(2)27-14)9-10-26-20-6-5-17(22-16(3)25)11-18(20)19-7-8-21-23(19)4/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,22,25)/t14-,15+
InChIKeyFVVJGPJJEZMELB-GASCZTMLSA-N
XLogP2.53
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66928187
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
CID 69370062
N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 162223075
1-(4-fluorophenyl)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927888
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486672
1-(2,4-difluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927855
2-(4-acetylphenoxy)-N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 68887157
1-(2-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486654
1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methylbenzamide
CID 66928778

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide (CID 66927836) is N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1.
What is the InChIKey of N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is FVVJGPJJEZMELB-GASCZTMLSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-12-24(13-15(2)27-14)9-10-26-20-6-5-17(22-16(3)25)11-18(20)19-7-8-21-23(19)4/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,22,25)/t14-,15+.
What are the key properties of N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 66927836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).