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

C19H25N3O2 — CID 110442241

IUPACN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
SMILESCN(C)CCNc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)13-12-20-17-10-8-16(9-11-17)14-21-19(23)15-24-18-6-4-3-5-7-18/h3-11,20H,12-15H2,1-2H3,(H,21,23)
InChIKeyGHNOQHQRGDRQIA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.36
Rot. Bonds9

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

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide (PubChem CID 110442241) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
PubChem CID110442241
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
SMILESCN(C)CCNc1ccc(CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)13-12-20-17-10-8-16(9-11-17)14-21-19(23)15-24-18-6-4-3-5-7-18/h3-11,20H,12-15H2,1-2H3,(H,21,23)
InChIKeyGHNOQHQRGDRQIA-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
CID 55509837
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide (CID 110442241) is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide is CN(C)CCNc1ccc(CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide?
The InChIKey is GHNOQHQRGDRQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)13-12-20-17-10-8-16(9-11-17)14-21-19(23)15-24-18-6-4-3-5-7-18/h3-11,20H,12-15H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide?
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide has a molecular weight of 327.43 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 110442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).