N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119642864

IUPACN-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-17(18,5-2)11-19-16(20)15-10-14(15)13-9-7-6-8-12(13)3;/h6-9,14-15H,4-5,10-11,18H2,1-3H3,(H,19,20);1H
InChIKeyWGNYRUDKCNDSPH-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.15
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119642864) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119642864
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-17(18,5-2)11-19-16(20)15-10-14(15)13-9-7-6-8-12(13)3;/h6-9,14-15H,4-5,10-11,18H2,1-3H3,(H,19,20);1H
InChIKeyWGNYRUDKCNDSPH-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119642864) is N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CC1c1ccccc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WGNYRUDKCNDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-17(18,5-2)11-19-16(20)15-10-14(15)13-9-7-6-8-12(13)3;/h6-9,14-15H,4-5,10-11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119642864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).