(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione

C26H38N2O6 — CID 508363

IUPAC(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
SMILESCCCCCCCN1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1C1OC2OC(C)(C)OC2[C@H]1OC
InChIInChI=1S/C26H38N2O6/c1-5-6-7-8-12-15-27-19(21-22(31-4)23-24(32-21)34-26(2,3)33-23)16-20(29)28(25(27)30)17-18-13-10-9-11-14-18/h9-11,13-14,19,21-24H,5-8,12,15-17H2,1-4H3/t19-,21?,22-,23?,24?/m0/s1
InChIKeyLVSDCVDQZOLROB-FKJUHHTKSA-N
MW474.60 g/mol
LogP4.07
Rot. Bonds10

About (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione

(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 508363) has the molecular formula C26H38N2O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID508363
Molecular FormulaC26H38N2O6
Molecular Weight474.60 g/mol
Exact Mass474.27
IUPAC Name(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
SMILESCCCCCCCN1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1C1OC2OC(C)(C)OC2[C@H]1OC
InChIInChI=1S/C26H38N2O6/c1-5-6-7-8-12-15-27-19(21-22(31-4)23-24(32-21)34-26(2,3)33-23)16-20(29)28(25(27)30)17-18-13-10-9-11-14-18/h9-11,13-14,19,21-24H,5-8,12,15-17H2,1-4H3/t19-,21?,22-,23?,24?/m0/s1
InChIKeyLVSDCVDQZOLROB-FKJUHHTKSA-N
XLogP4.07
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(6S)-1-butyl-3-(4-fluorophenyl)-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione
CID 508362
(6S)-3-benzyl-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione
CID 508361
(6S)-1-hexadecyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-phenyl-hexahydropyrimidine-2,4-dione
CID 508365
(6S)-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(Z)-octadec-9-enyl]-3-phenyl-hexahydropyrimidine-2,4-dione
CID 6478714
6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-benzyl-1-[(4-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76311992
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(cyclopropyl)amino]propanoate
CID 508343
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(heptyl)amino]propanoate
CID 508345
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl-[(Z)-octadec-9-enyl]amino]propanoate
CID 6478712
6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dibenzyl-1,3-diazinane-2,4-dione
CID 76308349
(6S)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-benzyl-1-[(2-hydroxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76308548
ethyl 3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[benzylcarbamoyl(3,5-dimethylhexyl)amino]propanoate
CID 76308550
(6R)-6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dibenzyl-1,3-diazinane-2,4-dione
CID 76308604

Frequently Asked Questions

What is the IUPAC name of (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione (CID 508363) is (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione is CCCCCCCN1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1C1OC2OC(C)(C)OC2[C@H]1OC.
What is the InChIKey of (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is LVSDCVDQZOLROB-FKJUHHTKSA-N. The full InChI is InChI=1S/C26H38N2O6/c1-5-6-7-8-12-15-27-19(21-22(31-4)23-24(32-21)34-26(2,3)33-23)16-20(29)28(25(27)30)17-18-13-10-9-11-14-18/h9-11,13-14,19,21-24H,5-8,12,15-17H2,1-4H3/t19-,21?,22-,23?,24?/m0/s1.
What are the key properties of (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
(6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 474.60 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-benzyl-1-heptyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 508363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).