2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

C24H27N3O2 — CID 24542839

IUPAC2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-27(2)17-20-9-7-6-8-19(20)16-25-24(28)18-29-23-14-12-22(13-15-23)26-21-10-4-3-5-11-21/h3-15,26H,16-18H2,1-2H3,(H,25,28)
InChIKeyJMCAOLFXSTUITE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.19
Rot. Bonds9

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

2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide (PubChem CID 24542839) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
PubChem CID24542839
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-27(2)17-20-9-7-6-8-19(20)16-25-24(28)18-29-23-14-12-22(13-15-23)26-21-10-4-3-5-11-21/h3-15,26H,16-18H2,1-2H3,(H,25,28)
InChIKeyJMCAOLFXSTUITE-UHFFFAOYSA-N
XLogP4.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24560717
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
CID 9050172
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-ethylacetamide
CID 18145615
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
CID 110442241
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide (CID 24542839) is 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide is CN(C)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The InChIKey is JMCAOLFXSTUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(2)17-20-9-7-6-8-19(20)16-25-24(28)18-29-23-14-12-22(13-15-23)26-21-10-4-3-5-11-21/h3-15,26H,16-18H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 24542839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).