N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide

C20H25NO2 — CID 53266130

IUPACN-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO2/c1-5-7-17-10-12-18(13-11-17)23-16(4)20(22)21-19-9-6-8-14(2)15(19)3/h6,8-13,16H,5,7H2,1-4H3,(H,21,22)
InChIKeyPCJPAXWTSBJVME-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide

N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide (PubChem CID 53266130) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
PubChem CID53266130
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO2/c1-5-7-17-10-12-18(13-11-17)23-16(4)20(22)21-19-9-6-8-14(2)15(19)3/h6,8-13,16H,5,7H2,1-4H3,(H,21,22)
InChIKeyPCJPAXWTSBJVME-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide (CID 53266130) is N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide is CCCc1ccc(OC(C)C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide?
The InChIKey is PCJPAXWTSBJVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-7-17-10-12-18(13-11-17)23-16(4)20(22)21-19-9-6-8-14(2)15(19)3/h6,8-13,16H,5,7H2,1-4H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide?
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide is sourced from PubChem (CID 53266130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).