3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea

C13H20N2O2 — CID 110749038

IUPAC3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
SMILESCN(CCc1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-15(9-8-12-7-4-10-17-12)13(16)14-11-5-2-3-6-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyYDSGXLNWQUNODC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.41
Rot. Bonds4

About 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea

3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea (PubChem CID 110749038) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
PubChem CID110749038
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
SMILESCN(CCc1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N2O2/c1-15(9-8-12-7-4-10-17-12)13(16)14-11-5-2-3-6-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,14,16)
InChIKeyYDSGXLNWQUNODC-UHFFFAOYSA-N
XLogP2.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N-methylcyclobutanecarboxamide
CID 110733326
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110053348
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
ethyl 4-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 110053361
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 110057732
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea (CID 110749038) is 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea is CN(CCc1ccco1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea?
The InChIKey is YDSGXLNWQUNODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(9-8-12-7-4-10-17-12)13(16)14-11-5-2-3-6-11/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea?
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea has a molecular weight of 236.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 110749038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).