N-benzyl-N-methyl-4-phenyloxane-4-carboxamide

C20H23NO2 — CID 975354

IUPACN-benzyl-N-methyl-4-phenyloxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-21(16-17-8-4-2-5-9-17)19(22)20(12-14-23-15-13-20)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyQJFVNAFZDXBPOR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.39
Rot. Bonds4

About N-benzyl-N-methyl-4-phenyloxane-4-carboxamide

N-benzyl-N-methyl-4-phenyloxane-4-carboxamide (PubChem CID 975354) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-phenyloxane-4-carboxamide
PubChem CID975354
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-benzyl-N-methyl-4-phenyloxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-21(16-17-8-4-2-5-9-17)19(22)20(12-14-23-15-13-20)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKeyQJFVNAFZDXBPOR-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-phenyloxane-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-phenyloxane-4-carboxamide (CID 975354) is N-benzyl-N-methyl-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-phenyloxane-4-carboxamide is CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-benzyl-N-methyl-4-phenyloxane-4-carboxamide?
The InChIKey is QJFVNAFZDXBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21(16-17-8-4-2-5-9-17)19(22)20(12-14-23-15-13-20)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-phenyloxane-4-carboxamide?
N-benzyl-N-methyl-4-phenyloxane-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 975354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).