[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C17H28N4O3 — CID 129339225

IUPAC[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCOCCC1(C(=O)N2CCO[C@@H](c3nncn3CC)C2)CCC1
InChIInChI=1S/C17H28N4O3/c1-3-20-13-18-19-15(20)14-12-21(9-11-24-14)16(22)17(6-5-7-17)8-10-23-4-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyVRLAXWJPLRTOKQ-CQSZACIVSA-N
MW336.44 g/mol
LogP1.79
Rot. Bonds7

About [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129339225) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129339225
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCOCCC1(C(=O)N2CCO[C@@H](c3nncn3CC)C2)CCC1
InChIInChI=1S/C17H28N4O3/c1-3-20-13-18-19-15(20)14-12-21(9-11-24-14)16(22)17(6-5-7-17)8-10-23-4-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyVRLAXWJPLRTOKQ-CQSZACIVSA-N
XLogP1.79
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129333058
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 129328127

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129339225) is [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCOCCC1(C(=O)N2CCO[C@@H](c3nncn3CC)C2)CCC1.
What is the InChIKey of [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is VRLAXWJPLRTOKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-20-13-18-19-15(20)14-12-21(9-11-24-14)16(22)17(6-5-7-17)8-10-23-4-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
[1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)cyclobutyl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129339225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).