N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide

C18H22N2O2 — CID 9194458

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
SMILESCN(C)Cc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(2)13-16-10-8-15(9-11-16)12-19-18(21)14-22-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyAWEZJIRFGLLUGB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide (PubChem CID 9194458) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
PubChem CID9194458
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
SMILESCN(C)Cc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(2)13-16-10-8-15(9-11-16)12-19-18(21)14-22-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyAWEZJIRFGLLUGB-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 26447428
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
CID 110442241
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 31544159
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 24542839
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide (CID 9194458) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide is CN(C)Cc1ccc(CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide?
The InChIKey is AWEZJIRFGLLUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(2)13-16-10-8-15(9-11-16)12-19-18(21)14-22-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 9194458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).