3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide

C20H23NO4 — CID 60612242

IUPAC3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
SMILESCc1cccc(COc2cccc(C(=O)NOC3CCCCO3)c2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-4-7-16(12-15)14-24-18-9-5-8-17(13-18)20(22)21-25-19-10-2-3-11-23-19/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,21,22)
InChIKeyDHLXZWOKYIWVAS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds6

About 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide

3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide (PubChem CID 60612242) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
PubChem CID60612242
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
SMILESCc1cccc(COc2cccc(C(=O)NOC3CCCCO3)c2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-4-7-16(12-15)14-24-18-9-5-8-17(13-18)20(22)21-25-19-10-2-3-11-23-19/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,21,22)
InChIKeyDHLXZWOKYIWVAS-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide (CID 60612242) is 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide is Cc1cccc(COc2cccc(C(=O)NOC3CCCCO3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide?
The InChIKey is DHLXZWOKYIWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-6-4-7-16(12-15)14-24-18-9-5-8-17(13-18)20(22)21-25-19-10-2-3-11-23-19/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,21,22).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide?
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 60612242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).