CID 158243835

C83H135N5O10 — CID 158243835

IUPAC—
SMILES[2H]C.[2H]C.[2H]C.[2H]C(C)(C)NC([2H])([2H])C(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C(C)(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H]C(C)(C)NCC([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H]
InChIInChI=1S/5C16H21NO2.3CH4.9H2/c5*1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;;;;;;;;;;;;/h5*3-9,12,14,17-18H,10-11H2,1-2H3;3*1H4;9*1H/i1D3,10D2,11D2,12D,14D;1D3,10D2,12D,14D;11D2,12D,14D;10D2,12D,14D;10D2,11D2,12D;3*1D;9*1+1D
InChIKeyGFWMFDQNAFSFML-QSWDGKISSA-N
MW1413.32 g/mol
LogP17.01
Rot. Bonds32

About CID 158243835

CID 158243835 (PubChem CID 158243835) has the molecular formula C83H135N5O10 and a molecular weight of 1413.32 g/mol.

Molecular Properties

Compound NameCID 158243835
PubChem CID158243835
Molecular FormulaC83H135N5O10
Molecular Weight1413.32 g/mol
Exact Mass1412.33
IUPAC Name—
SMILES[2H]C.[2H]C.[2H]C.[2H]C(C)(C)NC([2H])([2H])C(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C(C)(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H]C(C)(C)NCC([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H]
InChIInChI=1S/5C16H21NO2.3CH4.9H2/c5*1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;;;;;;;;;;;;/h5*3-9,12,14,17-18H,10-11H2,1-2H3;3*1H4;9*1H/i1D3,10D2,11D2,12D,14D;1D3,10D2,12D,14D;11D2,12D,14D;10D2,12D,14D;10D2,11D2,12D;3*1D;9*1+1D
InChIKeyGFWMFDQNAFSFML-QSWDGKISSA-N
XLogP17.01
TPSA207.45 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001413.32
LogP ≤ 517.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze CID 158243835 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

1,1,3,3-tetradeuterio-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;1,1,3,3-tetradeuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol;1,1,2-trideuterio-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;1,1,2-trideuterio-3-naphthalen-1-yloxy-1-(propan-2-ylamino)propan-2-ol;1,1,2-trideuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol;1,1,2-trideuterio-3-naphthalen-1-yloxy-1-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
CID 159097555
2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
CID 25143740
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;methanol;oxalate
CID 139201155

Frequently Asked Questions

What is the IUPAC name of CID 158243835?
The IUPAC name of CID 158243835 (CID 158243835) is not available.
What is the SMILES notation for CID 158243835?
The canonical SMILES for CID 158243835 is [2H]C.[2H]C.[2H]C.[2H]C(C)(C)NC([2H])([2H])C(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C(C)(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H]C(C)(C)NCC([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)C([2H])([2H])Oc1cccc2ccccc12.[2H]C([2H])([2H])C([2H])(C)NC([2H])([2H])C([2H])(O)COc1cccc2ccccc12.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].
What is the InChIKey of CID 158243835?
The InChIKey is GFWMFDQNAFSFML-QSWDGKISSA-N. The full InChI is InChI=1S/5C16H21NO2.3CH4.9H2/c5*1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;;;;;;;;;;;;/h5*3-9,12,14,17-18H,10-11H2,1-2H3;3*1H4;9*1H/i1D3,10D2,11D2,12D,14D;1D3,10D2,12D,14D;11D2,12D,14D;10D2,12D,14D;10D2,11D2,12D;3*1D;9*1+1D.
What are the key properties of CID 158243835?
CID 158243835 has a molecular weight of 1413.32 g/mol, XLogP of 17.01, 32 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158243835 is sourced from PubChem (CID 158243835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).