3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide

C21H28N2O4 — CID 120611859

IUPAC3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)CCc2ccccc2N)c1
InChIInChI=1S/C21H28N2O4/c1-23(21(24)10-9-16-7-4-5-8-20(16)22)11-6-12-27-19-14-17(25-2)13-18(15-19)26-3/h4-5,7-8,13-15H,6,9-12,22H2,1-3H3
InChIKeyCLQPGDIKUTYJJQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.15
Rot. Bonds10

About 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide (PubChem CID 120611859) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
PubChem CID120611859
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)CCc2ccccc2N)c1
InChIInChI=1S/C21H28N2O4/c1-23(21(24)10-9-16-7-4-5-8-20(16)22)11-6-12-27-19-14-17(25-2)13-18(15-19)26-3/h4-5,7-8,13-15H,6,9-12,22H2,1-3H3
InChIKeyCLQPGDIKUTYJJQ-UHFFFAOYSA-N
XLogP3.15
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
CID 120610953

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide (CID 120611859) is 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide is COc1cc(OC)cc(OCCCN(C)C(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide?
The InChIKey is CLQPGDIKUTYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-23(21(24)10-9-16-7-4-5-8-20(16)22)11-6-12-27-19-14-17(25-2)13-18(15-19)26-3/h4-5,7-8,13-15H,6,9-12,22H2,1-3H3.
What are the key properties of 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide is sourced from PubChem (CID 120611859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).