N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide

C19H23NO3 — CID 17327516

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO3/c1-12-6-7-18(13(2)8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21)
InChIKeyNFJGYOXEMHLYQU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide

N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 17327516) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID17327516
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO3/c1-12-6-7-18(13(2)8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21)
InChIKeyNFJGYOXEMHLYQU-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 43009203
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide (CID 17327516) is N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C)c2ccc(C)cc2C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is NFJGYOXEMHLYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-6-7-18(13(2)8-12)14(3)20-19(21)15-9-16(22-4)11-17(10-15)23-5/h6-11,14H,1-5H3,(H,20,21).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide?
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17327516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).