3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride

C17H27ClN2O3 — CID 120608330

IUPAC3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCOCC1CCCO1
InChIInChI=1S/C17H26N2O3.ClH/c18-16-7-2-1-5-14(16)8-9-17(20)19-10-4-11-21-13-15-6-3-12-22-15;/h1-2,5,7,15H,3-4,6,8-13,18H2,(H,19,20);1H
InChIKeyQZVYPHYZZOWTQD-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.33
Rot. Bonds9

About 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride (PubChem CID 120608330) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
PubChem CID120608330
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCOCC1CCCO1
InChIInChI=1S/C17H26N2O3.ClH/c18-16-7-2-1-5-14(16)8-9-17(20)19-10-4-11-21-13-15-6-3-12-22-15;/h1-2,5,7,15H,3-4,6,8-13,18H2,(H,19,20);1H
InChIKeyQZVYPHYZZOWTQD-UHFFFAOYSA-N
XLogP2.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.33
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

2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
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-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride (CID 120608330) is 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCCCOCC1CCCO1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride?
The InChIKey is QZVYPHYZZOWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c18-16-7-2-1-5-14(16)8-9-17(20)19-10-4-11-21-13-15-6-3-12-22-15;/h1-2,5,7,15H,3-4,6,8-13,18H2,(H,19,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120608330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).