4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide

C16H24N2O4 — CID 120927235

IUPAC4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(CN)CCOCC2)cc1O
InChIInChI=1S/C16H24N2O4/c1-18(10-12-3-4-14(21-2)13(19)9-12)15(20)16(11-17)5-7-22-8-6-16/h3-4,9,19H,5-8,10-11,17H2,1-2H3
InChIKeyVEODVKQNKOONBQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.11
Rot. Bonds5

About 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide (PubChem CID 120927235) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
PubChem CID120927235
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(CN)CCOCC2)cc1O
InChIInChI=1S/C16H24N2O4/c1-18(10-12-3-4-14(21-2)13(19)9-12)15(20)16(11-17)5-7-22-8-6-16/h3-4,9,19H,5-8,10-11,17H2,1-2H3
InChIKeyVEODVKQNKOONBQ-UHFFFAOYSA-N
XLogP1.11
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930132
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120625054
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-(oxepan-4-yl)urea
CID 146087686
1-[4-(aminomethyl)oxan-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116603234

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide (CID 120927235) is 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide is COc1ccc(CN(C)C(=O)C2(CN)CCOCC2)cc1O.
What is the InChIKey of 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide?
The InChIKey is VEODVKQNKOONBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-18(10-12-3-4-14(21-2)13(19)9-12)15(20)16(11-17)5-7-22-8-6-16/h3-4,9,19H,5-8,10-11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.11, 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-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 120927235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).