2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide

C23H23N3O3 — CID 47080215

IUPAC2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)21-10-6-5-9-20(21)25-23(28)16-29-19-13-11-17(12-14-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyVYOUTAOQYVFACJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.50
Rot. Bonds8

About 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide

2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide (PubChem CID 47080215) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide
PubChem CID47080215
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)21-10-6-5-9-20(21)25-23(28)16-29-19-13-11-17(12-14-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyVYOUTAOQYVFACJ-UHFFFAOYSA-N
XLogP3.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methylphenoxy)acetamide
CID 113093784
2-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethoxy]phenyl]acetamide
CID 48673523
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093771
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
2-[[2-(4-methylphenoxy)acetyl]amino]benzenethiolate
CID 135820587
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide (CID 47080215) is 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide is CN(c1ccccc1)c1ccccc1NC(=O)COc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is VYOUTAOQYVFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)21-10-6-5-9-20(21)25-23(28)16-29-19-13-11-17(12-14-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(N-methylanilino)anilino]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 47080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).