N-(4-methylphenyl)-4-phenyloxane-4-carboxamide

C19H21NO2 — CID 744209

IUPACN-(4-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyNRFFJCOKMHKYKB-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds3

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

N-(4-methylphenyl)-4-phenyloxane-4-carboxamide (PubChem CID 744209) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-phenyloxane-4-carboxamide
PubChem CID744209
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(4-methylphenyl)-4-phenyloxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyNRFFJCOKMHKYKB-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-phenyloxane-4-carboxamide (CID 744209) is N-(4-methylphenyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-phenyloxane-4-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-phenyloxane-4-carboxamide?
The InChIKey is NRFFJCOKMHKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)20-18(21)19(11-13-22-14-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)-4-phenyloxane-4-carboxamide?
N-(4-methylphenyl)-4-phenyloxane-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 744209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).