3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C22H30N2O2 — CID 109025794

IUPAC3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H30N2O2/c1-4-18-7-6-8-19(5-2)22(18)24-16-14-21(25)23-15-13-17-9-11-20(26-3)12-10-17/h6-12,24H,4-5,13-16H2,1-3H3,(H,23,25)
InChIKeyXXISMADUPDBTIU-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.98
Rot. Bonds10

About 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 109025794) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID109025794
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H30N2O2/c1-4-18-7-6-8-19(5-2)22(18)24-16-14-21(25)23-15-13-17-9-11-20(26-3)12-10-17/h6-12,24H,4-5,13-16H2,1-3H3,(H,23,25)
InChIKeyXXISMADUPDBTIU-UHFFFAOYSA-N
XLogP3.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001189
3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113125200
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 109025794) is 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is CCc1cccc(CC)c1NCCC(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is XXISMADUPDBTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-18-7-6-8-19(5-2)22(18)24-16-14-21(25)23-15-13-17-9-11-20(26-3)12-10-17/h6-12,24H,4-5,13-16H2,1-3H3,(H,23,25).
What are the key properties of 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 354.49 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).