1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea

C18H18N2O4 — CID 129396922

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C18H18N2O4/c21-17-13-4-2-1-3-11(13)9-14(17)20-18(22)19-12-5-6-15-16(10-12)24-8-7-23-15/h1-6,10,14,17,21H,7-9H2,(H2,19,20,22)/t14-,17+/m0/s1
InChIKeyWNUYHCTWAHCBMO-WMLDXEAASA-N
MW326.35 g/mol
LogP2.24
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea (PubChem CID 129396922) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
PubChem CID129396922
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C18H18N2O4/c21-17-13-4-2-1-3-11(13)9-14(17)20-18(22)19-12-5-6-15-16(10-12)24-8-7-23-15/h1-6,10,14,17,21H,7-9H2,(H2,19,20,22)/t14-,17+/m0/s1
InChIKeyWNUYHCTWAHCBMO-WMLDXEAASA-N
XLogP2.24
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea (CID 129396922) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea is O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1Cc2ccccc2[C@H]1O.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The InChIKey is WNUYHCTWAHCBMO-WMLDXEAASA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17-13-4-2-1-3-11(13)9-14(17)20-18(22)19-12-5-6-15-16(10-12)24-8-7-23-15/h1-6,10,14,17,21H,7-9H2,(H2,19,20,22)/t14-,17+/m0/s1.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea has a molecular weight of 326.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea is sourced from PubChem (CID 129396922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).