1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119302215

IUPAC1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(N)CCCC1)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-16(2,3)13-7-9-14(10-8-13)19(4)15(20)17(18)11-5-6-12-17;/h7-10H,5-6,11-12,18H2,1-4H3;1H
InChIKeyAFKYOZAIGBOBNL-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.64
Rot. Bonds2

About 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride

1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119302215) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119302215
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(N)CCCC1)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-16(2,3)13-7-9-14(10-8-13)19(4)15(20)17(18)11-5-6-12-17;/h7-10H,5-6,11-12,18H2,1-4H3;1H
InChIKeyAFKYOZAIGBOBNL-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride (CID 119302215) is 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is CN(C(=O)C1(N)CCCC1)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AFKYOZAIGBOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-16(2,3)13-7-9-14(10-8-13)19(4)15(20)17(18)11-5-6-12-17;/h7-10H,5-6,11-12,18H2,1-4H3;1H.
What are the key properties of 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119302215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).