N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide

C20H26N2O3 — CID 109030966

IUPACN-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNCCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-24-17-10-11-18(19(15-17)25-2)22-20(23)12-14-21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,21H,6,9,12-14H2,1-2H3,(H,22,23)
InChIKeyLRHRUKMXVXRVTI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide

N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide (PubChem CID 109030966) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
PubChem CID109030966
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNCCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-24-17-10-11-18(19(15-17)25-2)22-20(23)12-14-21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,21H,6,9,12-14H2,1-2H3,(H,22,23)
InChIKeyLRHRUKMXVXRVTI-UHFFFAOYSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979218
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide (CID 109030966) is N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide is COc1ccc(NC(=O)CCNCCCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide?
The InChIKey is LRHRUKMXVXRVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-17-10-11-18(19(15-17)25-2)22-20(23)12-14-21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,21H,6,9,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide?
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 109030966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).