N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide

C18H21NO2 — CID 4928504

IUPACN-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-12-5-7-17(8-6-12)21-15(4)18(20)19-16-10-13(2)9-14(3)11-16/h5-11,15H,1-4H3,(H,19,20)
InChIKeyIPFVIYJRVONMTN-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide

N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 4928504) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID4928504
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H21NO2/c1-12-5-7-17(8-6-12)21-15(4)18(20)19-16-10-13(2)9-14(3)11-16/h5-11,15H,1-4H3,(H,19,20)
InChIKeyIPFVIYJRVONMTN-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide (CID 4928504) is N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is IPFVIYJRVONMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-5-7-17(8-6-12)21-15(4)18(20)19-16-10-13(2)9-14(3)11-16/h5-11,15H,1-4H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide?
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 283.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 4928504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).