2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide

C25H28N2O2 — CID 55824699

IUPAC2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(COCc2ccccc2)c1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(17-21-9-4-2-5-10-21)18-25(28)26-16-23-13-8-14-24(15-23)20-29-19-22-11-6-3-7-12-22/h2-15H,16-20H2,1H3,(H,26,28)
InChIKeyWGVSPFRKGQTRRM-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.15
Rot. Bonds10

About 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55824699) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID55824699
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(COCc2ccccc2)c1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(17-21-9-4-2-5-10-21)18-25(28)26-16-23-13-8-14-24(15-23)20-29-19-22-11-6-3-7-12-22/h2-15H,16-20H2,1H3,(H,26,28)
InChIKeyWGVSPFRKGQTRRM-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87013076
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
CID 86867283
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 55824699) is 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1cccc(COCc2ccccc2)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is WGVSPFRKGQTRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-27(17-21-9-4-2-5-10-21)18-25(28)26-16-23-13-8-14-24(15-23)20-29-19-22-11-6-3-7-12-22/h2-15H,16-20H2,1H3,(H,26,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55824699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).