(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

C21H24Cl2N2O2 — CID 11948632

IUPAC(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)OC1=O
InChIInChI=1S/C21H24Cl2N2O2/c1-2-25-11-10-18(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-19(22)20(23)12-17/h3-9,12,18H,2,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyKSBABDIRGLDPJO-SFHVURJKSA-N
MW407.34 g/mol
LogP5.23
Rot. Bonds7

About (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (PubChem CID 11948632) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
PubChem CID11948632
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)OC1=O
InChIInChI=1S/C21H24Cl2N2O2/c1-2-25-11-10-18(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-19(22)20(23)12-17/h3-9,12,18H,2,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyKSBABDIRGLDPJO-SFHVURJKSA-N
XLogP5.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one with MolForge

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Related Compounds

Gsk682753A
CID 126843232
1-(3,4-dichlorobenzyl)-5-(morpholinocarbonyl)-2(1H)-pyridinone
CID 3830299
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CID 3077325
N-benzyl-3-(3,4-dichlorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 89437463
Cambridge id 5421571
CID 782448
Cambridge id 5424029
CID 782744
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 10202686
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-fluorophenyl)methyl]urea
CID 17984661
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 17984722
1,1,1,3,3,3-Hexafluoropropan-2-yl 7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 137546559
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 137546580
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 140047169

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (CID 11948632) is (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)OC1=O.
What is the InChIKey of (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is KSBABDIRGLDPJO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-2-25-11-10-18(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-19(22)20(23)12-17/h3-9,12,18H,2,10-11,13-15H2,1H3/t18-/m0/s1.
What are the key properties of (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one has a molecular weight of 407.34 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 11948632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).