N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide

C19H22N2O4 — CID 39860915

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-3-8-17(14(2)11-13)24-10-9-19(23)21-15-4-6-16(7-5-15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOYKFZMIGFHXFEL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.58
Rot. Bonds8

About N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide (PubChem CID 39860915) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
PubChem CID39860915
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-3-8-17(14(2)11-13)24-10-9-19(23)21-15-4-6-16(7-5-15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyOYKFZMIGFHXFEL-UHFFFAOYSA-N
XLogP2.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
dimethyl 5-[3-(2,4-dimethylphenoxy)propanoylamino]benzene-1,3-dicarboxylate
CID 30839966
3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 39683094
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669637
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide (CID 39860915) is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OCCC(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide?
The InChIKey is OYKFZMIGFHXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-3-8-17(14(2)11-13)24-10-9-19(23)21-15-4-6-16(7-5-15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 39860915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).