6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

C24H30N2O3 — CID 58109710

IUPAC6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccccc1)N1CCC(C)(c2ccc(CN3CCOCC3)cc2)OC1=O
InChIInChI=1S/C24H30N2O3/c1-19(21-6-4-3-5-7-21)26-13-12-24(2,29-23(26)27)22-10-8-20(9-11-22)18-25-14-16-28-17-15-25/h3-11,19H,12-18H2,1-2H3/t19-,24?/m0/s1
InChIKeyQRRQCLQPRPKNCO-XGLRFROISA-N
MW394.52 g/mol
LogP4.34
Rot. Bonds5

About 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (PubChem CID 58109710) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
PubChem CID58109710
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccccc1)N1CCC(C)(c2ccc(CN3CCOCC3)cc2)OC1=O
InChIInChI=1S/C24H30N2O3/c1-19(21-6-4-3-5-7-21)26-13-12-24(2,29-23(26)27)22-10-8-20(9-11-22)18-25-14-16-28-17-15-25/h3-11,19H,12-18H2,1-2H3/t19-,24?/m0/s1
InChIKeyQRRQCLQPRPKNCO-XGLRFROISA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one with MolForge

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Related Compounds

(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25182706
(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68726892
(6S)-6-methyl-6-(2-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68725837
2-[3-[(1S)-1-[(6R)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetic acid
CID 66857552
3-[(1S)-1-(3-hydroxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;3-[(1S)-1-(3-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one;sulfane
CID 159792259
(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 68725051
ethyl 2-[3-[(1S)-1-[(6S)-6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenoxy]acetate
CID 66857031
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
(6S)-6-methyl-3-[(1S)-1-[3-(2-oxo-2-piperazin-1-ylethoxy)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 68726926
3-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 66857258
9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996360

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (CID 58109710) is 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is C[C@@H](c1ccccc1)N1CCC(C)(c2ccc(CN3CCOCC3)cc2)OC1=O.
What is the InChIKey of 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The InChIKey is QRRQCLQPRPKNCO-XGLRFROISA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19(21-6-4-3-5-7-21)26-13-12-24(2,29-23(26)27)22-10-8-20(9-11-22)18-25-14-16-28-17-15-25/h3-11,19H,12-18H2,1-2H3/t19-,24?/m0/s1.
What are the key properties of 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 58109710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).