2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

C18H30N8O2 — CID 24792014

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C18H30N8O2/c1-13-8-14(2)25(21-13)7-5-6-19-18(27)12-26-17(20-22-23-26)11-24-9-15(3)28-16(4)10-24/h8,15-16H,5-7,9-12H2,1-4H3,(H,19,27)/t15-,16+
InChIKeyVTRPJWFEOOSVTR-IYBDPMFKSA-N
MW390.49 g/mol
LogP0.30
Rot. Bonds8

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 24792014) has the molecular formula C18H30N8O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID24792014
Molecular FormulaC18H30N8O2
Molecular Weight390.49 g/mol
Exact Mass390.25
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C18H30N8O2/c1-13-8-14(2)25(21-13)7-5-6-19-18(27)12-26-17(20-22-23-26)11-24-9-15(3)28-16(4)10-24/h8,15-16H,5-7,9-12H2,1-4H3,(H,19,27)/t15-,16+
InChIKeyVTRPJWFEOOSVTR-IYBDPMFKSA-N
XLogP0.30
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555356
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 53556843
1-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetyl]imidazolidin-2-one
CID 53557112
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53579709
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one
CID 72123339
2-(5-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1H-tetrazol-1-yl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
CID 72839859
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone
CID 164635007
N-(2-methoxyethyl)-N-(1-methyltetrazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126832390
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]acetamide
CID 25278051
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 45173226
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 45247312
5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 92553481

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 24792014) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is Cc1cc(C)n(CCCNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is VTRPJWFEOOSVTR-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H30N8O2/c1-13-8-14(2)25(21-13)7-5-6-19-18(27)12-26-17(20-22-23-26)11-24-9-15(3)28-16(4)10-24/h8,15-16H,5-7,9-12H2,1-4H3,(H,19,27)/t15-,16+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 24792014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).