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

C20H26N2O5 — CID 109028189

IUPAC3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-24-15-6-8-17(25-2)16(12-15)21-10-9-20(23)22-13-14-5-7-18(26-3)19(11-14)27-4/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,22,23)
InChIKeyGZXBPFLEAIIZOD-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.84
Rot. Bonds10

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

3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 109028189) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID109028189
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5/c1-24-15-6-8-17(25-2)16(12-15)21-10-9-20(23)22-13-14-5-7-18(26-3)19(11-14)27-4/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,22,23)
InChIKeyGZXBPFLEAIIZOD-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
3-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028224
3-(1,3-benzodioxol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028209
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 109028189) is 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(OC)c(NCCC(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is GZXBPFLEAIIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-24-15-6-8-17(25-2)16(12-15)21-10-9-20(23)22-13-14-5-7-18(26-3)19(11-14)27-4/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,22,23).
What are the key properties of 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109028189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).