N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride

C13H19ClN2O — CID 119383117

IUPACN-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O.ClH/c14-9-10-15-12(16)13(7-4-8-13)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H,15,16);1H
InChIKeyHWLHXSDCZHZVOW-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.61
Rot. Bonds4

About N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride

N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride (PubChem CID 119383117) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
PubChem CID119383117
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C13H18N2O.ClH/c14-9-10-15-12(16)13(7-4-8-13)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H,15,16);1H
InChIKeyHWLHXSDCZHZVOW-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142770343
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CID 119384814
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride (CID 119383117) is N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride is Cl.NCCNC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
The InChIKey is HWLHXSDCZHZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c14-9-10-15-12(16)13(7-4-8-13)11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,14H2,(H,15,16);1H.
What are the key properties of N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119383117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).