3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide

C19H24N2O4 — CID 109022353

IUPAC3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-21-19(22)10-11-20-17-12-16(24-2)8-9-18(17)25-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyBUIDNKHSKUGZDW-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.83
Rot. Bonds9

About 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide

3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 109022353) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID109022353
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-21-19(22)10-11-20-17-12-16(24-2)8-9-18(17)25-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyBUIDNKHSKUGZDW-UHFFFAOYSA-N
XLogP2.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide (CID 109022353) is 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCNc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is BUIDNKHSKUGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-21-19(22)10-11-20-17-12-16(24-2)8-9-18(17)25-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).