3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

C14H26N2O2 — CID 110875729

IUPAC3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(7-9-18-10-8-14)11-16(2)13(17)15-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyUIPUBKOZKLDQIG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 110875729) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID110875729
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(7-9-18-10-8-14)11-16(2)13(17)15-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyUIPUBKOZKLDQIG-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (CID 110875729) is 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea is CN(CC1(C)CCOCC1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is UIPUBKOZKLDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(7-9-18-10-8-14)11-16(2)13(17)15-12-5-3-4-6-12/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 110875729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).