4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide

C18H15NO3 — CID 167852526

IUPAC4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H15NO3/c1-3-12-19-18(21)15-6-10-17(11-7-15)22-16-8-4-14(5-9-16)13(2)20/h1,4-11H,12H2,2H3,(H,19,21)
InChIKeyPOZGYISXQKMZBY-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.04
Rot. Bonds5

About 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide

4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide (PubChem CID 167852526) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide
PubChem CID167852526
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H15NO3/c1-3-12-19-18(21)15-6-10-17(11-7-15)22-16-8-4-14(5-9-16)13(2)20/h1,4-11H,12H2,2H3,(H,19,21)
InChIKeyPOZGYISXQKMZBY-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.04
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

4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
4-(4-ethynylphenyl)-N-prop-2-ynylbenzamide
CID 138484608
4-[4-[2-[4-(4-acetylphenoxy)phenyl]propan-2-yl]phenoxy]-N-[6-(methylamino)hexyl]benzamide
CID 59187912
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60618856
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
CID 23531471
1-[4-[4-(2-sulfanylpropan-2-yl)phenoxy]phenyl]ethanone
CID 143560267
methanesulfonic acid;1-[4-(4-methylphenoxy)phenyl]ethanone
CID 90969067

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide (CID 167852526) is 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide?
The InChIKey is POZGYISXQKMZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-3-12-19-18(21)15-6-10-17(11-7-15)22-16-8-4-14(5-9-16)13(2)20/h1,4-11H,12H2,2H3,(H,19,21).
What are the key properties of 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide?
4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 167852526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).