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

C21H24Cl2N2O2 — CID 68709193

IUPAC6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CCC(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
InChIKeyKSBABDIRGLDPJO-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.23
Rot. Bonds7

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

6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (PubChem CID 68709193) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
PubChem CID68709193
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CCC(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
InChIKeyKSBABDIRGLDPJO-UHFFFAOYSA-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 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
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-((3,4-dichlorophenyl)methyl)-4-hydroxy-4-methyl-, monohydrochloride
CID 3077325
(6S)-6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
CID 11948632
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

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (CID 68709193) is 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is CCN1CCC(CN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)OC1=O.
What is the InChIKey of 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is KSBABDIRGLDPJO-UHFFFAOYSA-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.
What are the key properties of 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
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 6-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 68709193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).