N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride

C11H18ClN3O2 — CID 67315900

IUPACN-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(C)C)cc1N.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-14(2)7-11(15)13-8-4-5-10(16-3)9(12)6-8;/h4-6H,7,12H2,1-3H3,(H,13,15);1H
InChIKeyCGIKAUUVQFPWGH-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.20
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride (PubChem CID 67315900) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
PubChem CID67315900
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(C)C)cc1N.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-14(2)7-11(15)13-8-4-5-10(16-3)9(12)6-8;/h4-6H,7,12H2,1-3H3,(H,13,15);1H
InChIKeyCGIKAUUVQFPWGH-UHFFFAOYSA-N
XLogP1.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.20
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-(diethylamino)acetamide;dihydrochloride
CID 119419045
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-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119419694
N-(3-amino-4-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119419546
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride (CID 67315900) is N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride is COc1ccc(NC(=O)CN(C)C)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride?
The InChIKey is CGIKAUUVQFPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-14(2)7-11(15)13-8-4-5-10(16-3)9(12)6-8;/h4-6H,7,12H2,1-3H3,(H,13,15);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.20, 4 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-(dimethylamino)acetamide;hydrochloride is sourced from PubChem (CID 67315900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).