4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120932524

IUPAC4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(O)CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-4-2-3-5-13(12)14(19)10-18-15(20)16(11-17)6-8-21-9-7-16;/h2-5,14,19H,6-11,17H2,1H3,(H,18,20);1H
InChIKeyNZRIKITXLOIRBY-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.32
Rot. Bonds5

About 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120932524) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120932524
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(O)CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-4-2-3-5-13(12)14(19)10-18-15(20)16(11-17)6-8-21-9-7-16;/h2-5,14,19H,6-11,17H2,1H3,(H,18,20);1H
InChIKeyNZRIKITXLOIRBY-UHFFFAOYSA-N
XLogP1.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide
CID 120933679
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815
4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
CID 120939367
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120932524) is 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride is Cc1ccccc1C(O)CNC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is NZRIKITXLOIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12-4-2-3-5-13(12)14(19)10-18-15(20)16(11-17)6-8-21-9-7-16;/h2-5,14,19H,6-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120932524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).