2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride

C13H19ClN2O — CID 119945728

IUPAC2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
SMILESCC1(CNC(=O)c2ccccc2N)CCC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14;/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16);1H
InChIKeyVOEUDMWHGSAVPC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride

2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride (PubChem CID 119945728) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
PubChem CID119945728
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
SMILESCC1(CNC(=O)c2ccccc2N)CCC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14;/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16);1H
InChIKeyVOEUDMWHGSAVPC-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 115549077
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072
2-amino-6-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63822358
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
2-hydroxy-3-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738116
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
CID 61210410

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride (CID 119945728) is 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride is CC1(CNC(=O)c2ccccc2N)CCC1.Cl.
What is the InChIKey of 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride?
The InChIKey is VOEUDMWHGSAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-13(7-4-8-13)9-15-12(16)10-5-2-3-6-11(10)14;/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride?
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119945728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).