1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride

C13H19ClN2O2 — CID 171338056

IUPAC1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)N(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2.ClH/c14-13(6-7-13)12(17)15(8-9-16)10-11-4-2-1-3-5-11;/h1-5,16H,6-10,14H2;1H
InChIKeyTWCVLSRNSLGUNJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.92
Rot. Bonds5

About 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 171338056) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID171338056
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)N(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2.ClH/c14-13(6-7-13)12(17)15(8-9-16)10-11-4-2-1-3-5-11;/h1-5,16H,6-10,14H2;1H
InChIKeyTWCVLSRNSLGUNJ-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-1-carbamothioyl-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80591899
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66250442
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
1-amino-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 65466619
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride (CID 171338056) is 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)N(CCO)Cc2ccccc2)CC1.
What is the InChIKey of 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is TWCVLSRNSLGUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c14-13(6-7-13)12(17)15(8-9-16)10-11-4-2-1-3-5-11;/h1-5,16H,6-10,14H2;1H.
What are the key properties of 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 171338056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).