3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C30H55N3O3 — CID 126513904

IUPAC3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(C)N1C(C[C@H]2COC[C@H](C)N2C(C)C)COC2CC(C3COC4CCCCC4N3C(C)C)CC21
InChIInChI=1S/C30H55N3O3/c1-19(2)31-22(7)15-34-16-24(31)14-25-17-35-30-13-23(12-27(30)32(25)20(3)4)28-18-36-29-11-9-8-10-26(29)33(28)21(5)6/h19-30H,8-18H2,1-7H3/t22-,23?,24-,25?,26?,27?,28?,29?,30?/m0/s1
InChIKeyCHEXTCKLXUKUFA-HUBPQFRDSA-N
MW505.79 g/mol
LogP4.55
Rot. Bonds6

About 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 126513904) has the molecular formula C30H55N3O3 and a molecular weight of 505.79 g/mol. Its IUPAC name is 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID126513904
Molecular FormulaC30H55N3O3
Molecular Weight505.79 g/mol
Exact Mass505.42
IUPAC Name3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(C)N1C(C[C@H]2COC[C@H](C)N2C(C)C)COC2CC(C3COC4CCCCC4N3C(C)C)CC21
InChIInChI=1S/C30H55N3O3/c1-19(2)31-22(7)15-34-16-24(31)14-25-17-35-30-13-23(12-27(30)32(25)20(3)4)28-18-36-29-11-9-8-10-26(29)33(28)21(5)6/h19-30H,8-18H2,1-7H3/t22-,23?,24-,25?,26?,27?,28?,29?,30?/m0/s1
InChIKeyCHEXTCKLXUKUFA-HUBPQFRDSA-N
XLogP4.55
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-methyl-4-propan-2-ylmorpholine
CID 130177249
(5aR,8aR)-5-propan-2-yl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
CID 73011385
(3R)-3,4-dimethyl-5-[[(3S)-4-methyl-6-(4-methylmorpholin-2-yl)morpholin-3-yl]methyl]morpholine
CID 155091954
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
CID 138727381
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
(4R)-4-methyl-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 134572943
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
CID 157385878
CID 157385878
(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 167560206
(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine
CID 59447933

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 126513904) is 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC(C)N1C(C[C@H]2COC[C@H](C)N2C(C)C)COC2CC(C3COC4CCCCC4N3C(C)C)CC21.
What is the InChIKey of 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is CHEXTCKLXUKUFA-HUBPQFRDSA-N. The full InChI is InChI=1S/C30H55N3O3/c1-19(2)31-22(7)15-34-16-24(31)14-25-17-35-30-13-23(12-27(30)32(25)20(3)4)28-18-36-29-11-9-8-10-26(29)33(28)21(5)6/h19-30H,8-18H2,1-7H3/t22-,23?,24-,25?,26?,27?,28?,29?,30?/m0/s1.
What are the key properties of 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 505.79 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(3S,5S)-5-methyl-4-propan-2-ylmorpholin-3-yl]methyl]-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 126513904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).