(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120784333

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-14(11-4-6-12(20-2)7-5-11)18-16(19)15-9-8-13(10-17)21-15;/h4-7,13-15H,3,8-10,17H2,1-2H3,(H,18,19);1H/t13-,14?,15+;/m1./s1
InChIKeyIPACGEOGNBDDMI-PLIHOYMGSA-N
MW328.84 g/mol
LogP2.19
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120784333) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120784333
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-14(11-4-6-12(20-2)7-5-11)18-16(19)15-9-8-13(10-17)21-15;/h4-7,13-15H,3,8-10,17H2,1-2H3,(H,18,19);1H/t13-,14?,15+;/m1./s1
InChIKeyIPACGEOGNBDDMI-PLIHOYMGSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]oxolane-2-carboxamide
CID 120792152
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120790221
(2S,5R)-5-(aminomethyl)-N-(2-methylsulfinyl-1-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120795105
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
CID 120794662
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride (CID 120784333) is (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride is CCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1ccc(OC)cc1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is IPACGEOGNBDDMI-PLIHOYMGSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-3-14(11-4-6-12(20-2)7-5-11)18-16(19)15-9-8-13(10-17)21-15;/h4-7,13-15H,3,8-10,17H2,1-2H3,(H,18,19);1H/t13-,14?,15+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120784333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).