1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C18H26N2O — CID 753414

IUPAC1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H26N2O/c1-13(2)14-8-7-9-15(12-14)18(3,4)20-17(21)19-16-10-5-6-11-16/h7-9,12,16H,1,5-6,10-11H2,2-4H3,(H2,19,20,21)
InChIKeyUWZLBOODRUUTQZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.20
Rot. Bonds4

About 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 753414) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID753414
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H26N2O/c1-13(2)14-8-7-9-15(12-14)18(3,4)20-17(21)19-16-10-5-6-11-16/h7-9,12,16H,1,5-6,10-11H2,2-4H3,(H2,19,20,21)
InChIKeyUWZLBOODRUUTQZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 753414) is 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is UWZLBOODRUUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)14-8-7-9-15(12-14)18(3,4)20-17(21)19-16-10-5-6-11-16/h7-9,12,16H,1,5-6,10-11H2,2-4H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 286.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 753414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).