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

C18H21NO2 — CID 2121071

IUPACN-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2C)cc1C
InChIInChI=1S/C18H21NO2/c1-13-8-9-16(12-15(13)3)19-18(20)10-11-21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyFDFKYHDVOAXDFN-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide (PubChem CID 2121071) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide
PubChem CID2121071
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2C)cc1C
InChIInChI=1S/C18H21NO2/c1-13-8-9-16(12-15(13)3)19-18(20)10-11-21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyFDFKYHDVOAXDFN-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide (CID 2121071) is N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide is Cc1ccc(NC(=O)CCOc2ccccc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide?
The InChIKey is FDFKYHDVOAXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-9-16(12-15(13)3)19-18(20)10-11-21-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide?
N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide has a molecular weight of 283.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 2121071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).