2-(3-benzylphenyl)-N-methoxy-N-methylacetamide

C17H19NO2 — CID 131737866

IUPAC2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-18(20-2)17(19)13-16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-10,12H,11,13H2,1-2H3
InChIKeyMPMPLYFXSVWWBH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.84
Rot. Bonds5

About 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide

2-(3-benzylphenyl)-N-methoxy-N-methylacetamide (PubChem CID 131737866) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
PubChem CID131737866
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-18(20-2)17(19)13-16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-10,12H,11,13H2,1-2H3
InChIKeyMPMPLYFXSVWWBH-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
2-(3-benzylphenyl)acetic acid
CID 22590987
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516
benzylbenzene;methoxymethane
CID 161110966
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
CID 86084701

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide (CID 131737866) is 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide?
The InChIKey is MPMPLYFXSVWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(20-2)17(19)13-16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide?
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide has a molecular weight of 269.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylphenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 131737866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).