N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

C19H24N2O4 — CID 109022511

IUPACN-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-20-11-10-19(22)21-17-12-16(24-2)8-9-18(17)25-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyWSJJJAZPUXADRG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.83
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022511) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022511
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-20-11-10-19(22)21-17-12-16(24-2)8-9-18(17)25-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyWSJJJAZPUXADRG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024024
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022511) is N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is WSJJJAZPUXADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-15-6-4-14(5-7-15)13-20-11-10-19(22)21-17-12-16(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 N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]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 N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).