N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride

C14H21ClN2O3 — CID 119419458

IUPACN-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCC2CCCO2)cc1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11;/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17);1H
InChIKeyMOJNRTXFXIWLPG-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.60
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride (PubChem CID 119419458) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
PubChem CID119419458
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCC2CCCO2)cc1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11;/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17);1H
InChIKeyMOJNRTXFXIWLPG-UHFFFAOYSA-N
XLogP2.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
CID 119419889
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97328983
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride (CID 119419458) is N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride is COc1ccc(NC(=O)CCC2CCCO2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride?
The InChIKey is MOJNRTXFXIWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-13-6-4-10(9-12(13)15)16-14(17)7-5-11-3-2-8-19-11;/h4,6,9,11H,2-3,5,7-8,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119419458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).