2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide

C17H22N2O3 — CID 71792695

IUPAC2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
SMILESCc1cccc(OCC(=O)NCC#CCN2CCOCC2)c1
InChIInChI=1S/C17H22N2O3/c1-15-5-4-6-16(13-15)22-14-17(20)18-7-2-3-8-19-9-11-21-12-10-19/h4-6,13H,7-12,14H2,1H3,(H,18,20)
InChIKeyLTHUTFSPMQQDLB-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide

2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide (PubChem CID 71792695) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
PubChem CID71792695
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
SMILESCc1cccc(OCC(=O)NCC#CCN2CCOCC2)c1
InChIInChI=1S/C17H22N2O3/c1-15-5-4-6-16(13-15)22-14-17(20)18-7-2-3-8-19-9-11-21-12-10-19/h4-6,13H,7-12,14H2,1H3,(H,18,20)
InChIKeyLTHUTFSPMQQDLB-UHFFFAOYSA-N
XLogP0.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
N-[4-(3-bromophenoxy)but-2-ynyl]-2-(3-methylphenoxy)acetamide
CID 90576515
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide (CID 71792695) is 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide is Cc1cccc(OCC(=O)NCC#CCN2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
The InChIKey is LTHUTFSPMQQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-15-5-4-6-16(13-15)22-14-17(20)18-7-2-3-8-19-9-11-21-12-10-19/h4-6,13H,7-12,14H2,1H3,(H,18,20).
What are the key properties of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide?
2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 71792695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).