2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide

C20H24N2O3 — CID 46760564

IUPAC2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1C
InChIInChI=1S/C20H24N2O3/c1-5-19(23)21-17-7-6-8-18(14(17)3)22-20(24)15(4)25-16-11-9-13(2)10-12-16/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYGFOITMBCIHRTO-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide

2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide (PubChem CID 46760564) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
PubChem CID46760564
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1C
InChIInChI=1S/C20H24N2O3/c1-5-19(23)21-17-7-6-8-18(14(17)3)22-20(24)15(4)25-16-11-9-13(2)10-12-16/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYGFOITMBCIHRTO-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 46760598
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide (CID 46760564) is 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1C.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
The InChIKey is YGFOITMBCIHRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-19(23)21-17-7-6-8-18(14(17)3)22-20(24)15(4)25-16-11-9-13(2)10-12-16/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide?
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide has a molecular weight of 340.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 46760564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).