1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea

C15H30N2O3 — CID 111106468

IUPAC1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-17(9-4-10-18)14(20)16-12-5-7-13(19)8-6-12/h12-13,18-19H,4-11H2,1-3H3,(H,16,20)
InChIKeyZHQQVJSDPQJNAF-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.73
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea

1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea (PubChem CID 111106468) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea
PubChem CID111106468
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)11-17(9-4-10-18)14(20)16-12-5-7-13(19)8-6-12/h12-13,18-19H,4-11H2,1-3H3,(H,16,20)
InChIKeyZHQQVJSDPQJNAF-UHFFFAOYSA-N
XLogP1.73
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea (CID 111106468) is 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea is CC(C)(C)CN(CCCO)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea?
The InChIKey is ZHQQVJSDPQJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)11-17(9-4-10-18)14(20)16-12-5-7-13(19)8-6-12/h12-13,18-19H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea?
1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea has a molecular weight of 286.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 111106468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).