N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H32N4O2 — CID 29303037

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H32N4O2/c1-12-9-22(10-13(2)24-12)18(5,6)11-19-17(23)8-16-14(3)20-21(7)15(16)4/h12-13H,8-11H2,1-7H3,(H,19,23)/t12-,13-/m0/s1
InChIKeyNBDGGYQQGHWFOB-STQMWFEESA-N
MW336.48 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 29303037) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID29303037
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H32N4O2/c1-12-9-22(10-13(2)24-12)18(5,6)11-19-17(23)8-16-14(3)20-21(7)15(16)4/h12-13H,8-11H2,1-7H3,(H,19,23)/t12-,13-/m0/s1
InChIKeyNBDGGYQQGHWFOB-STQMWFEESA-N
XLogP1.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 32767835
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea
CID 128796221
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111446406
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 17435653
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55799940
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 61261702
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
2-(cyclopropylmethylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 119839560

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 29303037) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NBDGGYQQGHWFOB-STQMWFEESA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12-9-22(10-13(2)24-12)18(5,6)11-19-17(23)8-16-14(3)20-21(7)15(16)4/h12-13H,8-11H2,1-7H3,(H,19,23)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 29303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).