5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide

C15H18N2O3 — CID 83023821

IUPAC5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
SMILESCc1ccc(C#CCO)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C15H18N2O3/c1-12-4-5-13(3-2-8-18)11-14(12)15(19)16-17-6-9-20-10-7-17/h4-5,11,18H,6-10H2,1H3,(H,16,19)
InChIKeyUTCSWYJNJDTMBI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.32
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide

5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide (PubChem CID 83023821) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
PubChem CID83023821
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
SMILESCc1ccc(C#CCO)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C15H18N2O3/c1-12-4-5-13(3-2-8-18)11-14(12)15(19)16-17-6-9-20-10-7-17/h4-5,11,18H,6-10H2,1H3,(H,16,19)
InChIKeyUTCSWYJNJDTMBI-UHFFFAOYSA-N
XLogP0.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
CID 83023656
[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-morpholin-4-ylmethanone
CID 18404856
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methylmorpholin-4-yl)methanone
CID 65311233
[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-morpholin-4-ylmethanone
CID 65311076
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
N-butan-2-yl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311364
2-(4-hydroxybut-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83015255
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
2-hydroxy-3-methyl-N-morpholin-4-ylbenzamide
CID 78910153
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79361001
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide (CID 83023821) is 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide is Cc1ccc(C#CCO)cc1C(=O)NN1CCOCC1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide?
The InChIKey is UTCSWYJNJDTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-12-4-5-13(3-2-8-18)11-14(12)15(19)16-17-6-9-20-10-7-17/h4-5,11,18H,6-10H2,1H3,(H,16,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide?
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83023821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).