N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride

C19H23ClN2O2 — CID 119420360

IUPACN-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1N.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-23-17-9-8-15(12-16(17)20)21-18(22)19(10-5-11-19)13-14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,13,20H2,1H3,(H,21,22);1H
InChIKeyJNJSZAXAXKCDBB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.05
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 119420360) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
PubChem CID119420360
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1N.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-23-17-9-8-15(12-16(17)20)21-18(22)19(10-5-11-19)13-14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,13,20H2,1H3,(H,21,22);1H
InChIKeyJNJSZAXAXKCDBB-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119420007
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119418958
1-[(3-amino-4-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 166242194
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119419212
1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
CID 71920872
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride (CID 119420360) is N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride is COc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is JNJSZAXAXKCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-23-17-9-8-15(12-16(17)20)21-18(22)19(10-5-11-19)13-14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,13,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119420360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).