1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea

C18H20N2O3 — CID 6465440

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C18H20N2O3/c1-22-16-9-8-15(11-17(16)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeySCZIXWZJGWFRJU-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.84
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea (PubChem CID 6465440) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea
PubChem CID6465440
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C18H20N2O3/c1-22-16-9-8-15(11-17(16)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeySCZIXWZJGWFRJU-UHFFFAOYSA-N
XLogP3.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea (CID 6465440) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is SCZIXWZJGWFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-9-8-15(11-17(16)23-2)20-18(21)19-14-7-6-12-4-3-5-13(12)10-14/h6-11H,3-5H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 312.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 6465440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).