4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride

C13H19ClN2O3 — CID 119295756

IUPAC4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2COCCO2)cc1
InChIInChI=1S/C13H18N2O3.ClH/c14-7-10-1-3-11(4-2-10)13(16)15-8-12-9-17-5-6-18-12;/h1-4,12H,5-9,14H2,(H,15,16);1H
InChIKeyCWLWXIUOODMULN-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.71
Rot. Bonds4

About 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride

4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119295756) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119295756
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2COCCO2)cc1
InChIInChI=1S/C13H18N2O3.ClH/c14-7-10-1-3-11(4-2-10)13(16)15-8-12-9-17-5-6-18-12;/h1-4,12H,5-9,14H2,(H,15,16);1H
InChIKeyCWLWXIUOODMULN-UHFFFAOYSA-N
XLogP0.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 94561634
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614671
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167
2-(3-aminophenyl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 55083536
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride (CID 119295756) is 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCC2COCCO2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is CWLWXIUOODMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c14-7-10-1-3-11(4-2-10)13(16)15-8-12-9-17-5-6-18-12;/h1-4,12H,5-9,14H2,(H,15,16);1H.
What are the key properties of 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119295756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).