2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride

C22H31ClN2O3 — CID 119684727

IUPAC2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
SMILESCCCOc1ccc(CN(CCC)C(=O)Cc2ccc(N)cc2)cc1OC.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-4-12-24(22(25)15-17-6-9-19(23)10-7-17)16-18-8-11-20(27-13-5-2)21(14-18)26-3;/h6-11,14H,4-5,12-13,15-16,23H2,1-3H3;1H
InChIKeyOAYNZNBYPMMUSF-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.47
Rot. Bonds10

About 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride

2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride (PubChem CID 119684727) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
PubChem CID119684727
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
SMILESCCCOc1ccc(CN(CCC)C(=O)Cc2ccc(N)cc2)cc1OC.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-4-12-24(22(25)15-17-6-9-19(23)10-7-17)16-18-8-11-20(27-13-5-2)21(14-18)26-3;/h6-11,14H,4-5,12-13,15-16,23H2,1-3H3;1H
InChIKeyOAYNZNBYPMMUSF-UHFFFAOYSA-N
XLogP4.47
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride (CID 119684727) is 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride is CCCOc1ccc(CN(CCC)C(=O)Cc2ccc(N)cc2)cc1OC.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The InChIKey is OAYNZNBYPMMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.ClH/c1-4-12-24(22(25)15-17-6-9-19(23)10-7-17)16-18-8-11-20(27-13-5-2)21(14-18)26-3;/h6-11,14H,4-5,12-13,15-16,23H2,1-3H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119684727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).