3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride

C15H23ClN2O3 — CID 119800059

IUPAC3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCOCC2CCOC2)c1
InChIInChI=1S/C15H22N2O3.ClH/c16-14-4-1-3-13(9-14)15(18)17-6-2-7-19-10-12-5-8-20-11-12;/h1,3-4,9,12H,2,5-8,10-11,16H2,(H,17,18);1H
InChIKeyYXCLFSWWWXCSDQ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.86
Rot. Bonds7

About 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride

3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride (PubChem CID 119800059) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
PubChem CID119800059
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCOCC2CCOC2)c1
InChIInChI=1S/C15H22N2O3.ClH/c16-14-4-1-3-13(9-14)15(18)17-6-2-7-19-10-12-5-8-20-11-12;/h1,3-4,9,12H,2,5-8,10-11,16H2,(H,17,18);1H
InChIKeyYXCLFSWWWXCSDQ-UHFFFAOYSA-N
XLogP1.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111647094
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
CID 95635259
N-ethyl-3-[[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]methyl]benzamide
CID 111645608
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111648232
N-[3-(oxolan-3-ylmethoxy)propyl]-1,3-dihydroisoindole-2-carboxamide
CID 75422050
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111646879
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111648231
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]methyl]benzamide
CID 111647566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride (CID 119800059) is 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCCCOCC2CCOC2)c1.
What is the InChIKey of 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride?
The InChIKey is YXCLFSWWWXCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c16-14-4-1-3-13(9-14)15(18)17-6-2-7-19-10-12-5-8-20-11-12;/h1,3-4,9,12H,2,5-8,10-11,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride?
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119800059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).