3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

C18H26N2O2 — CID 75518095

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCN(CC1CCCCC1O)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-20(12-14-7-3-5-9-17(14)21)18(22)19-16-11-10-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-17,21H,3,5,7,9-12H2,1H3,(H,19,22)
InChIKeyKDZUCMDJUGHDJH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (PubChem CID 75518095) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
PubChem CID75518095
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCN(CC1CCCCC1O)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-20(12-14-7-3-5-9-17(14)21)18(22)19-16-11-10-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-17,21H,3,5,7,9-12H2,1H3,(H,19,22)
InChIKeyKDZUCMDJUGHDJH-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (CID 75518095) is 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is CN(CC1CCCCC1O)C(=O)NC1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The InChIKey is KDZUCMDJUGHDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20(12-14-7-3-5-9-17(14)21)18(22)19-16-11-10-13-6-2-4-8-15(13)16/h2,4,6,8,14,16-17,21H,3,5,7,9-12H2,1H3,(H,19,22).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea has a molecular weight of 302.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is sourced from PubChem (CID 75518095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).