4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

C13H19ClN2O2 — CID 119708774

IUPAC4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10;/h4-7,12H,2-3,8-9,14H2,1H3;1H
InChIKeyWFVYJMZSIBHVHK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119708774) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119708774
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10;/h4-7,12H,2-3,8-9,14H2,1H3;1H
InChIKeyWFVYJMZSIBHVHK-UHFFFAOYSA-N
XLogP1.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (CID 119708774) is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is CN(CC1CCCO1)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is WFVYJMZSIBHVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10;/h4-7,12H,2-3,8-9,14H2,1H3;1H.
What are the key properties of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119708774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).