3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide

C19H23NO3 — CID 100789404

IUPAC3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14-8-10-15(11-9-14)20-19(21)13-12-16-17(22-2)6-5-7-18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyQQENGQGFKBCBKM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.84
Rot. Bonds7

About 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide

3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide (PubChem CID 100789404) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
PubChem CID100789404
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14-8-10-15(11-9-14)20-19(21)13-12-16-17(22-2)6-5-7-18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyQQENGQGFKBCBKM-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
ethyl 2-[4-[3-(2,6-dimethoxyphenyl)propanoylamino]phenyl]acetate
CID 100789290
butyl 4-[3-(2,6-dimethoxyphenyl)propanoylamino]benzoate
CID 100789605
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
CID 100789335
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide (CID 100789404) is 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide?
The InChIKey is QQENGQGFKBCBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14-8-10-15(11-9-14)20-19(21)13-12-16-17(22-2)6-5-7-18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide?
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 100789404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).