3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide

C18H20N2O4 — CID 53281948

IUPAC3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)cc1
InChIInChI=1S/C18H20N2O4/c1-11-15(17(19)21)5-4-6-16(11)20-18(22)12(2)24-14-9-7-13(23-3)8-10-14/h4-10,12H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOFAHVVXEKBPZFO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.51
Rot. Bonds6

About 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide

3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide (PubChem CID 53281948) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
PubChem CID53281948
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)cc1
InChIInChI=1S/C18H20N2O4/c1-11-15(17(19)21)5-4-6-16(11)20-18(22)12(2)24-14-9-7-13(23-3)8-10-14/h4-10,12H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOFAHVVXEKBPZFO-UHFFFAOYSA-N
XLogP2.51
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 53288807
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
CID 95706566
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide?
The IUPAC name of 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide (CID 53281948) is 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide is COc1ccc(OC(C)C(=O)Nc2cccc(C(N)=O)c2C)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide?
The InChIKey is OFAHVVXEKBPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-15(17(19)21)5-4-6-16(11)20-18(22)12(2)24-14-9-7-13(23-3)8-10-14/h4-10,12H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide?
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide is sourced from PubChem (CID 53281948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).