(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride

C19H23ClN2O2 — CID 171187856

IUPAC(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-19(2)13-23-18(22)21-17(19)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14;/h3-11,17,20H,12-13H2,1-2H3,(H,21,22);1H/t17-;/m1./s1
InChIKeyKJCQINUSYXYFNC-UNTBIKODSA-N
MW346.86 g/mol
LogP4.53
Rot. Bonds4

About (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride

(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187856) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187856
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
SMILESCC1(C)COC(=O)N[C@@H]1c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-19(2)13-23-18(22)21-17(19)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14;/h3-11,17,20H,12-13H2,1-2H3,(H,21,22);1H/t17-;/m1./s1
InChIKeyKJCQINUSYXYFNC-UNTBIKODSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride (CID 171187856) is (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride is CC1(C)COC(=O)N[C@@H]1c1ccc(NCc2ccccc2)cc1.Cl.
What is the InChIKey of (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is KJCQINUSYXYFNC-UNTBIKODSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-19(2)13-23-18(22)21-17(19)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14;/h3-11,17,20H,12-13H2,1-2H3,(H,21,22);1H/t17-;/m1./s1.
What are the key properties of (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).