2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride

C15H23ClN2O3 — CID 119943995

IUPAC2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H22N2O3.ClH/c16-14-7-2-1-6-13(14)15(18)17-8-4-9-19-11-12-5-3-10-20-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H
InChIKeyHLPKAKZHSCYJQD-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.01
Rot. Bonds7

About 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride

2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride (PubChem CID 119943995) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
PubChem CID119943995
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H22N2O3.ClH/c16-14-7-2-1-6-13(14)15(18)17-8-4-9-19-11-12-5-3-10-20-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H
InChIKeyHLPKAKZHSCYJQD-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 56503491
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride (CID 119943995) is 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride?
The InChIKey is HLPKAKZHSCYJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c16-14-7-2-1-6-13(14)15(18)17-8-4-9-19-11-12-5-3-10-20-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H.
What are the key properties of 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride?
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119943995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).