4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride

C18H29ClN2O3 — CID 120930132

IUPAC4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2(CN)CCOCC2)cc1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-9-15(10-14(2)16(13)22-4)11-20(3)17(21)18(12-19)5-7-23-8-6-18;/h9-10H,5-8,11-12,19H2,1-4H3;1H
InChIKeyPLJPEXUAFUYERU-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.45
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride (PubChem CID 120930132) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
PubChem CID120930132
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2(CN)CCOCC2)cc1C.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-9-15(10-14(2)16(13)22-4)11-20(3)17(21)18(12-19)5-7-23-8-6-18;/h9-10H,5-8,11-12,19H2,1-4H3;1H
InChIKeyPLJPEXUAFUYERU-UHFFFAOYSA-N
XLogP2.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
CID 120927235
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
4-(aminomethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 120918602

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride (CID 120930132) is 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride is COc1c(C)cc(CN(C)C(=O)C2(CN)CCOCC2)cc1C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The InChIKey is PLJPEXUAFUYERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13-9-15(10-14(2)16(13)22-4)11-20(3)17(21)18(12-19)5-7-23-8-6-18;/h9-10H,5-8,11-12,19H2,1-4H3;1H.
What are the key properties of 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).