2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride

C20H27ClN2O4 — CID 119820802

IUPAC2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-22(20(23)11-15-5-7-16(21)8-6-15)9-4-10-26-19-13-17(24-2)12-18(14-19)25-3;/h5-8,12-14H,4,9-11,21H2,1-3H3;1H
InChIKeyBYEJTCXOWNBYAW-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.18
Rot. Bonds9

About 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride

2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride (PubChem CID 119820802) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
PubChem CID119820802
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-22(20(23)11-15-5-7-16(21)8-6-15)9-4-10-26-19-13-17(24-2)12-18(14-19)25-3;/h5-8,12-14H,4,9-11,21H2,1-3H3;1H
InChIKeyBYEJTCXOWNBYAW-UHFFFAOYSA-N
XLogP3.18
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]acetamide;hydrochloride
CID 119753730
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride (CID 119820802) is 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride is COc1cc(OC)cc(OCCCN(C)C(=O)Cc2ccc(N)cc2)c1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride?
The InChIKey is BYEJTCXOWNBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-22(20(23)11-15-5-7-16(21)8-6-15)9-4-10-26-19-13-17(24-2)12-18(14-19)25-3;/h5-8,12-14H,4,9-11,21H2,1-3H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride?
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119820802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).