6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one

C19H29NO3 — CID 70952830

IUPAC6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CCC(CCCO)(C(C)C)OC2=O)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)19(10-5-13-21)11-12-20(18(22)23-19)16(4)17-8-6-15(3)7-9-17/h6-9,14,16,21H,5,10-13H2,1-4H3/t16-,19?/m0/s1
InChIKeyBUJKSCXQFJOPJG-UCFFOFKASA-N
MW319.44 g/mol
LogP4.07
Rot. Bonds6

About 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one

6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 70952830) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
PubChem CID70952830
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCc1ccc([C@H](C)N2CCC(CCCO)(C(C)C)OC2=O)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)19(10-5-13-21)11-12-20(18(22)23-19)16(4)17-8-6-15(3)7-9-17/h6-9,14,16,21H,5,10-13H2,1-4H3/t16-,19?/m0/s1
InChIKeyBUJKSCXQFJOPJG-UCFFOFKASA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one (CID 70952830) is 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one is Cc1ccc([C@H](C)N2CCC(CCCO)(C(C)C)OC2=O)cc1.
What is the InChIKey of 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is BUJKSCXQFJOPJG-UCFFOFKASA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)19(10-5-13-21)11-12-20(18(22)23-19)16(4)17-8-6-15(3)7-9-17/h6-9,14,16,21H,5,10-13H2,1-4H3/t16-,19?/m0/s1.
What are the key properties of 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one?
6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 319.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-3-[(1S)-1-(4-methylphenyl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 70952830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).