3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

C15H22ClN3O3 — CID 119305123

IUPAC3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21N3O3.ClH/c16-8-14(19)17-9-11-3-1-4-12(7-11)15(20)18-10-13-5-2-6-21-13;/h1,3-4,7,13H,2,5-6,8-10,16H2,(H,17,19)(H,18,20);1H
InChIKeyYHTHINTUJFAOCY-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.59
Rot. Bonds6

About 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119305123) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119305123
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21N3O3.ClH/c16-8-14(19)17-9-11-3-1-4-12(7-11)15(20)18-10-13-5-2-6-21-13;/h1,3-4,7,13H,2,5-6,8-10,16H2,(H,17,19)(H,18,20);1H
InChIKeyYHTHINTUJFAOCY-UHFFFAOYSA-N
XLogP0.59
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120561368
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
(2S,5R)-5-(aminomethyl)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120790023
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-amino-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119751885
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305129
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (CID 119305123) is 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is Cl.NCC(=O)NCc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is YHTHINTUJFAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-8-14(19)17-9-11-3-1-4-12(7-11)15(20)18-10-13-5-2-6-21-13;/h1,3-4,7,13H,2,5-6,8-10,16H2,(H,17,19)(H,18,20);1H.
What are the key properties of 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119305123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).