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

C14H21ClN2O2 — CID 119746333

IUPAC4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCCO1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(10-13-4-2-3-9-18-13)14(17)11-5-7-12(15)8-6-11;/h5-8,13H,2-4,9-10,15H2,1H3;1H
InChIKeyVLSCHSWPGBPSJY-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.33
Rot. Bonds3

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

4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119746333) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119746333
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCCO1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(10-13-4-2-3-9-18-13)14(17)11-5-7-12(15)8-6-11;/h5-8,13H,2-4,9-10,15H2,1H3;1H
InChIKeyVLSCHSWPGBPSJY-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.33
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-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
4-(3-amino-2-pyridinyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126435144
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
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride (CID 119746333) is 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride is CN(CC1CCCCO1)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is VLSCHSWPGBPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-16(10-13-4-2-3-9-18-13)14(17)11-5-7-12(15)8-6-11;/h5-8,13H,2-4,9-10,15H2,1H3;1H.
What are the key properties of 4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.33, 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-(oxan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119746333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).