N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride

C13H23Cl2N3O2 — CID 119419045

IUPACN-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(OC)c(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-4-16(5-2)9-13(17)15-10-6-7-12(18-3)11(14)8-10;;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyIIIUNNOACDVJAO-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.40
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride

N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride (PubChem CID 119419045) has the molecular formula C13H23Cl2N3O2 and a molecular weight of 324.25 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
PubChem CID119419045
Molecular FormulaC13H23Cl2N3O2
Molecular Weight324.25 g/mol
Exact Mass323.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(OC)c(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-4-16(5-2)9-13(17)15-10-6-7-12(18-3)11(14)8-10;;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyIIIUNNOACDVJAO-UHFFFAOYSA-N
XLogP2.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119419024
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
CID 19855901

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride (CID 119419045) is N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride is CCN(CC)CC(=O)Nc1ccc(OC)c(N)c1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride?
The InChIKey is IIIUNNOACDVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.2ClH/c1-4-16(5-2)9-13(17)15-10-6-7-12(18-3)11(14)8-10;;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride?
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride has a molecular weight of 324.25 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119419045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).