3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride

C15H23ClN2O3 — CID 119302619

IUPAC3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C15H22N2O3.ClH/c16-9-8-15(18)17-13-6-1-2-7-14(13)20-11-12-5-3-4-10-19-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H
InChIKeyTWWFQOVOOGFJRK-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.34
Rot. Bonds6

About 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride

3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119302619) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
PubChem CID119302619
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C15H22N2O3.ClH/c16-9-8-15(18)17-13-6-1-2-7-14(13)20-11-12-5-3-4-10-19-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H
InChIKeyTWWFQOVOOGFJRK-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119747615
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride (CID 119302619) is 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is TWWFQOVOOGFJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c16-9-8-15(18)17-13-6-1-2-7-14(13)20-11-12-5-3-4-10-19-12;/h1-2,6-7,12H,3-5,8-11,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride?
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119302619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).