(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone

C17H21NO3 — CID 115999932

IUPAC(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc(C)cc(C#CCO)c1
InChIInChI=1S/C17H21NO3/c1-3-16-12-21-8-6-18(16)17(20)15-10-13(2)9-14(11-15)5-4-7-19/h9-11,16,19H,3,6-8,12H2,1-2H3
InChIKeyXTGUULDPFWLVOX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone

(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone (PubChem CID 115999932) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
PubChem CID115999932
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc(C)cc(C#CCO)c1
InChIInChI=1S/C17H21NO3/c1-3-16-12-21-8-6-18(16)17(20)15-10-13(2)9-14(11-15)5-4-7-19/h9-11,16,19H,3,6-8,12H2,1-2H3
InChIKeyXTGUULDPFWLVOX-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Benzoylmorpholine
CID 15114
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2200216
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
3-Trifluoromethylbenzoic acid, morpholide
CID 531804
1-{[4-(4-Morpholinylcarbonyl)phenyl]ethynyl}cyclohexanol
CID 2059978
3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 912589
(2,3-Difluoro-5-methyl-phenyl)-morpholin-4-yl-methanone
CID 593124
(3-Methylphenyl)(morpholin-4-yl)methanone
CID 236085
(4-Methylphenyl)morpholin-4-ylmethanone
CID 236086
Vsn-16R
CID 23730084
3-(5-(dimethylcarbamoyl)pent-1-en-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 67524169
Azepan-1-yl-{3-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10593648

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone (CID 115999932) is (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone is CCC1COCCN1C(=O)c1cc(C)cc(C#CCO)c1.
What is the InChIKey of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone?
The InChIKey is XTGUULDPFWLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-16-12-21-8-6-18(16)17(20)15-10-13(2)9-14(11-15)5-4-7-19/h9-11,16,19H,3,6-8,12H2,1-2H3.
What are the key properties of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone?
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone has a molecular weight of 287.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone is sourced from PubChem (CID 115999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).