2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

C19H26N4O2 — CID 124622493

IUPAC2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCn1cc([C@H]2CN(CC(=O)NCc3cccc(C)c3)CCO2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-23-12-17(11-21-23)18-13-22(7-8-25-18)14-19(24)20-10-16-6-4-5-15(2)9-16/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyZUENABMJOCZUHI-GOSISDBHSA-N
MW342.44 g/mol
LogP1.90
Rot. Bonds6

About 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide

2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 124622493) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID124622493
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCn1cc([C@H]2CN(CC(=O)NCc3cccc(C)c3)CCO2)cn1
InChIInChI=1S/C19H26N4O2/c1-3-23-12-17(11-21-23)18-13-22(7-8-25-18)14-19(24)20-10-16-6-4-5-15(2)9-16/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1
InChIKeyZUENABMJOCZUHI-GOSISDBHSA-N
XLogP1.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
2-(2-methylmorpholin-4-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507844
2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 108995714
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124954482
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 124622493) is 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide is CCn1cc([C@H]2CN(CC(=O)NCc3cccc(C)c3)CCO2)cn1.
What is the InChIKey of 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is ZUENABMJOCZUHI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-12-17(11-21-23)18-13-22(7-8-25-18)14-19(24)20-10-16-6-4-5-15(2)9-16/h4-6,9,11-12,18H,3,7-8,10,13-14H2,1-2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide?
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 124622493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).