N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide

C20H25NO3 — CID 118423929

IUPACN-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
SMILESCc1ccc(N(C)C(=O)COc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)13-23-18-6-5-7-19(12-18)24-14-20(22)21(4)17-10-8-16(3)9-11-17/h5-12,15H,13-14H2,1-4H3
InChIKeyAVLPWIYMYFFUSO-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.07
Rot. Bonds7

About N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide

N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide (PubChem CID 118423929) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
PubChem CID118423929
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
SMILESCc1ccc(N(C)C(=O)COc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)13-23-18-6-5-7-19(12-18)24-14-20(22)21(4)17-10-8-16(3)9-11-17/h5-12,15H,13-14H2,1-4H3
InChIKeyAVLPWIYMYFFUSO-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 72705757
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 23741964
N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823757
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one
CID 82185645
(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
CID 2334247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide (CID 118423929) is N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide is Cc1ccc(N(C)C(=O)COc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide?
The InChIKey is AVLPWIYMYFFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)13-23-18-6-5-7-19(12-18)24-14-20(22)21(4)17-10-8-16(3)9-11-17/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide?
N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide has a molecular weight of 327.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide is sourced from PubChem (CID 118423929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).