1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea

C17H24N2O2 — CID 110024695

IUPAC1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC1(O)CCC1)C(C)C2
InChIInChI=1S/C17H24N2O2/c1-11-4-5-13-9-12(2)15(14(13)8-11)19-16(20)18-10-17(21)6-3-7-17/h4-5,8,12,15,21H,3,6-7,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyJQBLKIPBTLYUHJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds3

About 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 110024695) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID110024695
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccc2c(c1)C(NC(=O)NCC1(O)CCC1)C(C)C2
InChIInChI=1S/C17H24N2O2/c1-11-4-5-13-9-12(2)15(14(13)8-11)19-16(20)18-10-17(21)6-3-7-17/h4-5,8,12,15,21H,3,6-7,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyJQBLKIPBTLYUHJ-UHFFFAOYSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 110024695) is 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1ccc2c(c1)C(NC(=O)NCC1(O)CCC1)C(C)C2.
What is the InChIKey of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is JQBLKIPBTLYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-4-5-13-9-12(2)15(14(13)8-11)19-16(20)18-10-17(21)6-3-7-17/h4-5,8,12,15,21H,3,6-7,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 110024695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).