N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride

C18H29ClN2O — CID 119642990

IUPACN-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2ccccc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-17(19,4-2)14-20-16(21)18(12-8-9-13-18)15-10-6-5-7-11-15;/h5-7,10-11H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H
InChIKeySEJMISMHWUTGIX-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.55
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119642990) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119642990
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1(c2ccccc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-17(19,4-2)14-20-16(21)18(12-8-9-13-18)15-10-6-5-7-11-15;/h5-7,10-11H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H
InChIKeySEJMISMHWUTGIX-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119643803
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride (CID 119642990) is N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1(c2ccccc2)CCCC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is SEJMISMHWUTGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-3-17(19,4-2)14-20-16(21)18(12-8-9-13-18)15-10-6-5-7-11-15;/h5-7,10-11H,3-4,8-9,12-14,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.55, 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)-1-phenylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119642990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).