1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea

C14H26N2O3 — CID 75389156

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCCC1CCCO1
InChIInChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyYBIULBNYIPVWQQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds5

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea (PubChem CID 75389156) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea
PubChem CID75389156
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCCC1CCCO1
InChIInChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyYBIULBNYIPVWQQ-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea (CID 75389156) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea is CN(CC1CCCC1O)C(=O)NCCC1CCCO1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea?
The InChIKey is YBIULBNYIPVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(10-11-4-2-6-13(11)17)14(18)15-8-7-12-5-3-9-19-12/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 75389156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).