1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea

C15H22N2O2 — CID 59734425

IUPAC1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)C(C)Oc1cccc2c1CCC2
InChIInChI=1S/C15H22N2O2/c1-10(17-15(18)16-3)11(2)19-14-9-5-7-12-6-4-8-13(12)14/h5,7,9-11H,4,6,8H2,1-3H3,(H2,16,17,18)
InChIKeyDLGCWLCKCTZMGH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds4

About 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea

1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea (PubChem CID 59734425) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea
PubChem CID59734425
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea
SMILESCNC(=O)NC(C)C(C)Oc1cccc2c1CCC2
InChIInChI=1S/C15H22N2O2/c1-10(17-15(18)16-3)11(2)19-14-9-5-7-12-6-4-8-13(12)14/h5,7,9-11H,4,6,8H2,1-3H3,(H2,16,17,18)
InChIKeyDLGCWLCKCTZMGH-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea (CID 59734425) is 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea is CNC(=O)NC(C)C(C)Oc1cccc2c1CCC2.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea?
The InChIKey is DLGCWLCKCTZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(17-15(18)16-3)11(2)19-14-9-5-7-12-6-4-8-13(12)14/h5,7,9-11H,4,6,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea?
1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea has a molecular weight of 262.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea is sourced from PubChem (CID 59734425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).