N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride

C12H17ClN2O2 — CID 119421373

IUPACN-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC2)c1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-16-9-5-6-10(13)11(7-9)14-12(15)8-3-2-4-8;/h5-8H,2-4,13H2,1H3,(H,14,15);1H
InChIKeyLXQSNVKWPLCALJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.44
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride (PubChem CID 119421373) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
PubChem CID119421373
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC2)c1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-16-9-5-6-10(13)11(7-9)14-12(15)8-3-2-4-8;/h5-8H,2-4,13H2,1H3,(H,14,15);1H
InChIKeyLXQSNVKWPLCALJ-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.44
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-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390922
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119420626
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride (CID 119421373) is N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2CCC2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride?
The InChIKey is LXQSNVKWPLCALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-16-9-5-6-10(13)11(7-9)14-12(15)8-3-2-4-8;/h5-8H,2-4,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 119421373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).