4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one

C23H28N2O2 — CID 42603238

IUPAC4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CCOC(=O)N3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-3-2-14-25(17)15-12-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-13-16-27-23(26)24-22/h4-11,17,22H,2-3,12-16H2,1H3,(H,24,26)/t17-,22?/m1/s1
InChIKeyKBPKWHBQOLGRPE-PLEWWHCXSA-N
MW364.49 g/mol
LogP4.55
Rot. Bonds5

About 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one

4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one (PubChem CID 42603238) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one
PubChem CID42603238
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CCOC(=O)N3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-3-2-14-25(17)15-12-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-13-16-27-23(26)24-22/h4-11,17,22H,2-3,12-16H2,1H3,(H,24,26)/t17-,22?/m1/s1
InChIKeyKBPKWHBQOLGRPE-PLEWWHCXSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one?
The IUPAC name of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one (CID 42603238) is 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(C3CCOC(=O)N3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one?
The InChIKey is KBPKWHBQOLGRPE-PLEWWHCXSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-3-2-14-25(17)15-12-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-13-16-27-23(26)24-22/h4-11,17,22H,2-3,12-16H2,1H3,(H,24,26)/t17-,22?/m1/s1.
What are the key properties of 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one?
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 42603238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).