N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide

C20H21NO3 — CID 756636

IUPACN-(4-acetylphenyl)-4-phenyloxane-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H21NO3/c1-15(22)16-7-9-18(10-8-16)21-19(23)20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyGIHVMAFRQAUUIB-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.58
Rot. Bonds4

About N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide

N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide (PubChem CID 756636) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-phenyloxane-4-carboxamide
PubChem CID756636
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(4-acetylphenyl)-4-phenyloxane-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C20H21NO3/c1-15(22)16-7-9-18(10-8-16)21-19(23)20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyGIHVMAFRQAUUIB-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide (CID 756636) is N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide is CC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide?
The InChIKey is GIHVMAFRQAUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15(22)16-7-9-18(10-8-16)21-19(23)20(11-13-24-14-12-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide?
N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 756636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).