N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide

C14H16N2O2 — CID 46844280

IUPACN-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
SMILESC#Cc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-12-3-5-13(6-4-12)15-14(17)11-16-7-9-18-10-8-16/h1,3-6H,7-11H2,(H,15,17)
InChIKeyOCVCFQXBAXOWGP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.94
Rot. Bonds3

About N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide

N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 46844280) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
PubChem CID46844280
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
SMILESC#Cc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-12-3-5-13(6-4-12)15-14(17)11-16-7-9-18-10-8-16/h1,3-6H,7-11H2,(H,15,17)
InChIKeyOCVCFQXBAXOWGP-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.94
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-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide
CID 55831217
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide (CID 46844280) is N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide is C#Cc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is OCVCFQXBAXOWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-12-3-5-13(6-4-12)15-14(17)11-16-7-9-18-10-8-16/h1,3-6H,7-11H2,(H,15,17).
What are the key properties of N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide?
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 244.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 46844280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).