4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride

C15H23ClN2O3 — CID 120922268

IUPAC4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(CN)CCOCC2)c(C)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-9-12(19-2)3-4-13(11)17-14(18)15(10-16)5-7-20-8-6-15;/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18);1H
InChIKeyOGPMDWBXZWJPLW-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.12
Rot. Bonds4

About 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120922268) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120922268
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(CN)CCOCC2)c(C)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-9-12(19-2)3-4-13(11)17-14(18)15(10-16)5-7-20-8-6-15;/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18);1H
InChIKeyOGPMDWBXZWJPLW-UHFFFAOYSA-N
XLogP2.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
CID 120940433
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride (CID 120922268) is 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride is COc1ccc(NC(=O)C2(CN)CCOCC2)c(C)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is OGPMDWBXZWJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-9-12(19-2)3-4-13(11)17-14(18)15(10-16)5-7-20-8-6-15;/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).