4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120921735

IUPAC4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(13-3-5-14(20-2)6-4-13)18-15(19)16(11-17)7-9-21-10-8-16;/h3-6,12H,7-11,17H2,1-2H3,(H,18,19);1H
InChIKeyYSGFEBNWOVKGAG-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.05
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120921735) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120921735
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12(13-3-5-14(20-2)6-4-13)18-15(19)16(11-17)7-9-21-10-8-16;/h3-6,12H,7-11,17H2,1-2H3,(H,18,19);1H
InChIKeyYSGFEBNWOVKGAG-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
4-(aminomethyl)-N-[1-(4-cyanophenyl)ethyl]oxane-4-carboxamide
CID 115439059
4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
4-(aminomethyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120927321
4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
CID 120919609

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120921735) is 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride is COc1ccc(C(C)NC(=O)C2(CN)CCOCC2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is YSGFEBNWOVKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12(13-3-5-14(20-2)6-4-13)18-15(19)16(11-17)7-9-21-10-8-16;/h3-6,12H,7-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120921735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).