(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane

C32H63N3O3 — CID 155468372

IUPAC(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane
SMILESCC(C)C1OCC(CC(C)N2C(C(C)C)OCC(CC(C)N3C(C(C)C)OCC[C@@H]3C)[C@H]2C)CN1C(C)C
InChIInChI=1S/C32H63N3O3/c1-20(2)30-33(23(7)8)17-28(18-37-30)15-25(10)35-27(12)29(19-38-32(35)22(5)6)16-26(11)34-24(9)13-14-36-31(34)21(3)4/h20-32H,13-19H2,1-12H3/t24-,25?,26?,27+,28?,29?,30?,31?,32?/m0/s1
InChIKeyMHVFWWOURQGMPI-DQHUVZSZSA-N
MW537.87 g/mol
LogP6.29
Rot. Bonds10

About (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane

(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane (PubChem CID 155468372) has the molecular formula C32H63N3O3 and a molecular weight of 537.87 g/mol. Its IUPAC name is (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane.

Molecular Properties

Compound Name(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane
PubChem CID155468372
Molecular FormulaC32H63N3O3
Molecular Weight537.87 g/mol
Exact Mass537.49
IUPAC Name(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane
SMILESCC(C)C1OCC(CC(C)N2C(C(C)C)OCC(CC(C)N3C(C(C)C)OCC[C@@H]3C)[C@H]2C)CN1C(C)C
InChIInChI=1S/C32H63N3O3/c1-20(2)30-33(23(7)8)17-28(18-37-30)15-25(10)35-27(12)29(19-38-32(35)22(5)6)16-26(11)34-24(9)13-14-36-31(34)21(3)4/h20-32H,13-19H2,1-12H3/t24-,25?,26?,27+,28?,29?,30?,31?,32?/m0/s1
InChIKeyMHVFWWOURQGMPI-DQHUVZSZSA-N
XLogP6.29
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.87
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane?
The IUPAC name of (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane (CID 155468372) is (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane.
What is the SMILES notation for (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane?
The canonical SMILES for (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane is CC(C)C1OCC(CC(C)N2C(C(C)C)OCC(CC(C)N3C(C(C)C)OCC[C@@H]3C)[C@H]2C)CN1C(C)C.
What is the InChIKey of (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane?
The InChIKey is MHVFWWOURQGMPI-DQHUVZSZSA-N. The full InChI is InChI=1S/C32H63N3O3/c1-20(2)30-33(23(7)8)17-28(18-37-30)15-25(10)35-27(12)29(19-38-32(35)22(5)6)16-26(11)34-24(9)13-14-36-31(34)21(3)4/h20-32H,13-19H2,1-12H3/t24-,25?,26?,27+,28?,29?,30?,31?,32?/m0/s1.
What are the key properties of (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane?
(4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane has a molecular weight of 537.87 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-[2,3-di(propan-2-yl)-1,3-oxazinan-5-yl]propan-2-yl]-4-methyl-5-[2-[(4S)-4-methyl-2-propan-2-yl-1,3-oxazinan-3-yl]propyl]-2-propan-2-yl-1,3-oxazinane is sourced from PubChem (CID 155468372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).