4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

C21H30N4O2 — CID 100844657

IUPAC4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c([C@H](C)NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C
InChIInChI=1S/C21H30N4O2/c1-14-11-25(12-15(2)27-14)13-18-6-8-19(9-7-18)21(26)23-16(3)20-10-22-24(5)17(20)4/h6-10,14-16H,11-13H2,1-5H3,(H,23,26)/t14-,15-,16-/m0/s1
InChIKeyDIEWZHBAJMXYIF-JYJNAYRXSA-N
MW370.50 g/mol
LogP2.83
Rot. Bonds5

About 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 100844657) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID100844657
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c([C@H](C)NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C
InChIInChI=1S/C21H30N4O2/c1-14-11-25(12-15(2)27-14)13-18-6-8-19(9-7-18)21(26)23-16(3)20-10-22-24(5)17(20)4/h6-10,14-16H,11-13H2,1-5H3,(H,23,26)/t14-,15-,16-/m0/s1
InChIKeyDIEWZHBAJMXYIF-JYJNAYRXSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (CID 100844657) is 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is Cc1c([C@H](C)NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C.
What is the InChIKey of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is DIEWZHBAJMXYIF-JYJNAYRXSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-11-25(12-15(2)27-14)13-18-6-8-19(9-7-18)21(26)23-16(3)20-10-22-24(5)17(20)4/h6-10,14-16H,11-13H2,1-5H3,(H,23,26)/t14-,15-,16-/m0/s1.
What are the key properties of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 100844657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).