benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

C21H25BrN2O3 — CID 143755741

IUPACbenzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)OC1=O.c1ccccc1
InChIInChI=1S/C15H19BrN2O3.C6H6/c1-10(11-2-4-12(16)5-3-11)18-9-8-13(21-15(18)20)6-7-14(17)19;1-2-4-6-5-3-1/h2-5,10,13H,6-9H2,1H3,(H2,17,19);1-6H
InChIKeyYCUQIRAJCUNXDF-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.67
Rot. Bonds5

About benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide

benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (PubChem CID 143755741) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.

Molecular Properties

Compound Namebenzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
PubChem CID143755741
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Namebenzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESCC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)OC1=O.c1ccccc1
InChIInChI=1S/C15H19BrN2O3.C6H6/c1-10(11-2-4-12(16)5-3-11)18-9-8-13(21-15(18)20)6-7-14(17)19;1-2-4-6-5-3-1/h2-5,10,13H,6-9H2,1H3,(H2,17,19);1-6H
InChIKeyYCUQIRAJCUNXDF-UHFFFAOYSA-N
XLogP4.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The IUPAC name of benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide (CID 143755741) is benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide.
What is the SMILES notation for benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The canonical SMILES for benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is CC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)OC1=O.c1ccccc1.
What is the InChIKey of benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
The InChIKey is YCUQIRAJCUNXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3.C6H6/c1-10(11-2-4-12(16)5-3-11)18-9-8-13(21-15(18)20)6-7-14(17)19;1-2-4-6-5-3-1/h2-5,10,13H,6-9H2,1H3,(H2,17,19);1-6H.
What are the key properties of benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide?
benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide has a molecular weight of 433.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide is sourced from PubChem (CID 143755741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).