2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C14H24N4O2 — CID 118770404

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C14H24N4O2/c1-11-7-18(8-12(2)20-11)10-14(19)15-5-4-13-6-16-17(3)9-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,19)/t11-,12+
InChIKeyCNMBFOHIXFVMGU-TXEJJXNPSA-N
MW280.37 g/mol
LogP0.19
Rot. Bonds5

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 118770404) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID118770404
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C14H24N4O2/c1-11-7-18(8-12(2)20-11)10-14(19)15-5-4-13-6-16-17(3)9-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,19)/t11-,12+
InChIKeyCNMBFOHIXFVMGU-TXEJJXNPSA-N
XLogP0.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 94030439
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 118770404) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is C[C@@H]1CN(CC(=O)NCCc2cnn(C)c2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is CNMBFOHIXFVMGU-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-7-18(8-12(2)20-11)10-14(19)15-5-4-13-6-16-17(3)9-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,15,19)/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 118770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).