N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride

C18H29ClN2O3 — CID 119570024

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC2CCCO2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-18(4-2,13-19)20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16;/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21);1H
InChIKeyZZKBFVJRBBKPLX-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.91
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride (PubChem CID 119570024) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride
PubChem CID119570024
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC2CCCO2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-18(4-2,13-19)20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16;/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21);1H
InChIKeyZZKBFVJRBBKPLX-UHFFFAOYSA-N
XLogP2.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2558696
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride (CID 119570024) is N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1ccc(OCC2CCCO2)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride?
The InChIKey is ZZKBFVJRBBKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-3-18(4-2,13-19)20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16;/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119570024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).