N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide

C16H20N2O2 — CID 71792697

IUPACN-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC#CCN1CCOCC1
InChIInChI=1S/C16H20N2O2/c19-16(14-15-6-2-1-3-7-15)17-8-4-5-9-18-10-12-20-13-11-18/h1-3,6-7H,8-14H2,(H,17,19)
InChIKeyPGKMUDIDXYDYEV-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.68
Rot. Bonds4

About N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide

N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide (PubChem CID 71792697) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide
PubChem CID71792697
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC#CCN1CCOCC1
InChIInChI=1S/C16H20N2O2/c19-16(14-15-6-2-1-3-7-15)17-8-4-5-9-18-10-12-20-13-11-18/h1-3,6-7H,8-14H2,(H,17,19)
InChIKeyPGKMUDIDXYDYEV-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide (CID 71792697) is N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCC#CCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide?
The InChIKey is PGKMUDIDXYDYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(14-15-6-2-1-3-7-15)17-8-4-5-9-18-10-12-20-13-11-18/h1-3,6-7H,8-14H2,(H,17,19).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide?
N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)-2-phenylacetamide is sourced from PubChem (CID 71792697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).