4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride

C15H23ClN2O4 — CID 120917475

IUPAC4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(CN)CCOCC2)cc(OC)c1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-14(18)15(10-16)3-5-21-6-4-15;/h7-9H,3-6,10,16H2,1-2H3,(H,17,18);1H
InChIKeyGQGRXFUXPJHWDS-UHFFFAOYSA-N
MW330.81 g/mol
LogP1.82
Rot. Bonds5

About 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120917475) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120917475
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(CN)CCOCC2)cc(OC)c1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-14(18)15(10-16)3-5-21-6-4-15;/h7-9H,3-6,10,16H2,1-2H3,(H,17,18);1H
InChIKeyGQGRXFUXPJHWDS-UHFFFAOYSA-N
XLogP1.82
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
methyl 4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 120921441
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-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride (CID 120917475) is 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride is COc1cc(NC(=O)C2(CN)CCOCC2)cc(OC)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is GQGRXFUXPJHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-14(18)15(10-16)3-5-21-6-4-15;/h7-9H,3-6,10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120917475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).