3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

C20H26N2O5 — CID 109039839

IUPAC3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H26N2O5/c1-5-27-16-9-7-6-8-15(16)21-11-10-19(23)22-14-12-17(24-2)20(26-4)18(13-14)25-3/h6-9,12-13,21H,5,10-11H2,1-4H3,(H,22,23)
InChIKeyABADBPOTJQUIDW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds10

About 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109039839) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109039839
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H26N2O5/c1-5-27-16-9-7-6-8-15(16)21-11-10-19(23)22-14-12-17(24-2)20(26-4)18(13-14)25-3/h6-9,12-13,21H,5,10-11H2,1-4H3,(H,22,23)
InChIKeyABADBPOTJQUIDW-UHFFFAOYSA-N
XLogP3.55
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109039839) is 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is CCOc1ccccc1NCCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is ABADBPOTJQUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-5-27-16-9-7-6-8-15(16)21-11-10-19(23)22-14-12-17(24-2)20(26-4)18(13-14)25-3/h6-9,12-13,21H,5,10-11H2,1-4H3,(H,22,23).
What are the key properties of 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).