1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea

C18H26N2O3 — CID 75438894

IUPAC1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea
SMILESCC1(NC(=O)NCCOCC2CCCO2)Cc2ccccc2C1
InChIInChI=1S/C18H26N2O3/c1-18(11-14-5-2-3-6-15(14)12-18)20-17(21)19-8-10-22-13-16-7-4-9-23-16/h2-3,5-6,16H,4,7-13H2,1H3,(H2,19,20,21)
InChIKeyUGKRZLBCXNORFB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.04
Rot. Bonds6

About 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea

1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea (PubChem CID 75438894) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea
PubChem CID75438894
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea
SMILESCC1(NC(=O)NCCOCC2CCCO2)Cc2ccccc2C1
InChIInChI=1S/C18H26N2O3/c1-18(11-14-5-2-3-6-15(14)12-18)20-17(21)19-8-10-22-13-16-7-4-9-23-16/h2-3,5-6,16H,4,7-13H2,1H3,(H2,19,20,21)
InChIKeyUGKRZLBCXNORFB-UHFFFAOYSA-N
XLogP2.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea?
The IUPAC name of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea (CID 75438894) is 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea.
What is the SMILES notation for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea?
The canonical SMILES for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea is CC1(NC(=O)NCCOCC2CCCO2)Cc2ccccc2C1.
What is the InChIKey of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea?
The InChIKey is UGKRZLBCXNORFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(11-14-5-2-3-6-15(14)12-18)20-17(21)19-8-10-22-13-16-7-4-9-23-16/h2-3,5-6,16H,4,7-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea?
1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea is sourced from PubChem (CID 75438894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).