1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

C15H30N2O3 — CID 111509567

IUPAC1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCOC1(C)CC(NC(=O)NCC(C)CC(C)O)C1(C)C
InChIInChI=1S/C15H30N2O3/c1-10(7-11(2)18)9-16-13(19)17-12-8-15(5,20-6)14(12,3)4/h10-12,18H,7-9H2,1-6H3,(H2,16,17,19)
InChIKeyKJUOVHYYJZASNC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.90
Rot. Bonds6

About 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea

1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (PubChem CID 111509567) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
PubChem CID111509567
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
SMILESCOC1(C)CC(NC(=O)NCC(C)CC(C)O)C1(C)C
InChIInChI=1S/C15H30N2O3/c1-10(7-11(2)18)9-16-13(19)17-12-8-15(5,20-6)14(12,3)4/h10-12,18H,7-9H2,1-6H3,(H2,16,17,19)
InChIKeyKJUOVHYYJZASNC-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea (CID 111509567) is 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is COC1(C)CC(NC(=O)NCC(C)CC(C)O)C1(C)C.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
The InChIKey is KJUOVHYYJZASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(7-11(2)18)9-16-13(19)17-12-8-15(5,20-6)14(12,3)4/h10-12,18H,7-9H2,1-6H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea?
1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea has a molecular weight of 286.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea is sourced from PubChem (CID 111509567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).