1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea

C15H20N2O4 — CID 162414640

IUPAC1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C15H20N2O4/c1-8-3-9(2)5-10(4-8)16-15(19)17-11-6-20-14-12(18)7-21-13(11)14/h3-5,11-14,18H,6-7H2,1-2H3,(H2,16,17,19)/t11-,12-,13-,14-/m1/s1
InChIKeyNVCGDGNITKLEQH-AAVRWANBSA-N
MW292.34 g/mol
LogP0.95
Rot. Bonds2

About 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea

1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea (PubChem CID 162414640) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea
PubChem CID162414640
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C15H20N2O4/c1-8-3-9(2)5-10(4-8)16-15(19)17-11-6-20-14-12(18)7-21-13(11)14/h3-5,11-14,18H,6-7H2,1-2H3,(H2,16,17,19)/t11-,12-,13-,14-/m1/s1
InChIKeyNVCGDGNITKLEQH-AAVRWANBSA-N
XLogP0.95
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea (CID 162414640) is 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1.
What is the InChIKey of 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is NVCGDGNITKLEQH-AAVRWANBSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8-3-9(2)5-10(4-8)16-15(19)17-11-6-20-14-12(18)7-21-13(11)14/h3-5,11-14,18H,6-7H2,1-2H3,(H2,16,17,19)/t11-,12-,13-,14-/m1/s1.
What are the key properties of 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea?
1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 292.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 162414640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).