methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea

C17H28N2O2 — CID 153341809

IUPACmethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
SMILESCC(C)CNC(=O)Nc1ccccc1.COC1CCCC1
InChIInChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3
InChIKeyAEIOBBOKYWZRFB-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.04
Rot. Bonds4

About methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea

methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea (PubChem CID 153341809) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea.

Molecular Properties

Compound Namemethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
PubChem CID153341809
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namemethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
SMILESCC(C)CNC(=O)Nc1ccccc1.COC1CCCC1
InChIInChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3
InChIKeyAEIOBBOKYWZRFB-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The IUPAC name of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea (CID 153341809) is methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea.
What is the SMILES notation for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The canonical SMILES for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea is CC(C)CNC(=O)Nc1ccccc1.COC1CCCC1.
What is the InChIKey of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The InChIKey is AEIOBBOKYWZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3.
What are the key properties of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea has a molecular weight of 292.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea is sourced from PubChem (CID 153341809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).