(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

C22H28N2O2 — CID 24752753

IUPAC(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C)OC1=O
InChIInChI=1S/C22H28N2O2/c1-3-24-14-13-21(26-22(24)25)17-23(15-19-10-5-4-6-11-19)16-20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1
InChIKeyUAVDSLJDSJVZAW-NRFANRHFSA-N
MW352.48 g/mol
LogP4.23
Rot. Bonds7

About (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (PubChem CID 24752753) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
PubChem CID24752753
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C)OC1=O
InChIInChI=1S/C22H28N2O2/c1-3-24-14-13-21(26-22(24)25)17-23(15-19-10-5-4-6-11-19)16-20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1
InChIKeyUAVDSLJDSJVZAW-NRFANRHFSA-N
XLogP4.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (CID 24752753) is (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C)OC1=O.
What is the InChIKey of (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is UAVDSLJDSJVZAW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-24-14-13-21(26-22(24)25)17-23(15-19-10-5-4-6-11-19)16-20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one has a molecular weight of 352.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 24752753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).