N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C24H33NO4 — CID 43885781

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OCC
InChIInChI=1S/C24H33NO4/c1-8-27-21-11-10-20(14-23(21)28-9-2)18(6)25-24(26)19(7)29-22-13-15(3)12-16(4)17(22)5/h10-14,18-19H,8-9H2,1-7H3,(H,25,26)
InChIKeyJKMOWJNQFUTUFY-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.05
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 43885781) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID43885781
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OCC
InChIInChI=1S/C24H33NO4/c1-8-27-21-11-10-20(14-23(21)28-9-2)18(6)25-24(26)19(7)29-22-13-15(3)12-16(4)17(22)5/h10-14,18-19H,8-9H2,1-7H3,(H,25,26)
InChIKeyJKMOWJNQFUTUFY-UHFFFAOYSA-N
XLogP5.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 43885781) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is CCOc1ccc(C(C)NC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is JKMOWJNQFUTUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-8-27-21-11-10-20(14-23(21)28-9-2)18(6)25-24(26)19(7)29-22-13-15(3)12-16(4)17(22)5/h10-14,18-19H,8-9H2,1-7H3,(H,25,26).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 399.53 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 43885781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).