N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C18H27ClN2O — CID 119525798

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)C2C3CCCC32)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-13(9-7-12)16(19)10-20-18(21)17-14-4-3-5-15(14)17;/h6-9,11,14-17H,3-5,10,19H2,1-2H3,(H,20,21);1H
InChIKeyKTECJCJWVUPAGH-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.39
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 119525798) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID119525798
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)C2C3CCCC32)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-13(9-7-12)16(19)10-20-18(21)17-14-4-3-5-15(14)17;/h6-9,11,14-17H,3-5,10,19H2,1-2H3,(H,20,21);1H
InChIKeyKTECJCJWVUPAGH-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119526926
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 154578033
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
CID 119526973
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 120653330
N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107180698

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 119525798) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)C2C3CCCC32)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is KTECJCJWVUPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-13(9-7-12)16(19)10-20-18(21)17-14-4-3-5-15(14)17;/h6-9,11,14-17H,3-5,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 119525798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).