N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119421357

IUPACN-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2C(C)(C)C2(C)C)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-14(2)12(15(14,3)4)13(18)17-11-8-9(19-5)6-7-10(11)16;/h6-8,12H,16H2,1-5H3,(H,17,18);1H
InChIKeyATWMNOWHCORVOO-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.32
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119421357) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119421357
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2C(C)(C)C2(C)C)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-14(2)12(15(14,3)4)13(18)17-11-8-9(19-5)6-7-10(11)16;/h6-8,12H,16H2,1-5H3,(H,17,18);1H
InChIKeyATWMNOWHCORVOO-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.32
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

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CID 119421373
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2-amino-5-methoxyphenyl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119421788
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 63258036
N-(2-amino-5-methoxyphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119421487
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845
(2-amino-5-methoxyphenyl)carbamodithioic acid
CID 169433846
N-(2-amino-5-methoxyphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212938
N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride (CID 119421357) is N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2C(C)(C)C2(C)C)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ATWMNOWHCORVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-14(2)12(15(14,3)4)13(18)17-11-8-9(19-5)6-7-10(11)16;/h6-8,12H,16H2,1-5H3,(H,17,18);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 3.32, 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)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119421357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).