N-benzyl-N-[methoxy(phenyl)methyl]acetamide

C17H19NO2 — CID 102127516

IUPACN-benzyl-N-[methoxy(phenyl)methyl]acetamide
SMILESCOC(c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H19NO2/c1-14(19)18(13-15-9-5-3-6-10-15)17(20-2)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3
InChIKeyCACVHTJQTIMNNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-N-[methoxy(phenyl)methyl]acetamide

N-benzyl-N-[methoxy(phenyl)methyl]acetamide (PubChem CID 102127516) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-N-[methoxy(phenyl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[methoxy(phenyl)methyl]acetamide
PubChem CID102127516
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-N-[methoxy(phenyl)methyl]acetamide
SMILESCOC(c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C17H19NO2/c1-14(19)18(13-15-9-5-3-6-10-15)17(20-2)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3
InChIKeyCACVHTJQTIMNNL-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid
CID 174418902
N-benzyl-N-propan-2-ylacetamide
CID 23534449
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[methoxy(phenyl)methyl]acetamide?
The IUPAC name of N-benzyl-N-[methoxy(phenyl)methyl]acetamide (CID 102127516) is N-benzyl-N-[methoxy(phenyl)methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[methoxy(phenyl)methyl]acetamide?
The canonical SMILES for N-benzyl-N-[methoxy(phenyl)methyl]acetamide is COC(c1ccccc1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[methoxy(phenyl)methyl]acetamide?
The InChIKey is CACVHTJQTIMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14(19)18(13-15-9-5-3-6-10-15)17(20-2)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3.
What are the key properties of N-benzyl-N-[methoxy(phenyl)methyl]acetamide?
N-benzyl-N-[methoxy(phenyl)methyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[methoxy(phenyl)methyl]acetamide is sourced from PubChem (CID 102127516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).