3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea

C12H18N2O2 — CID 115617674

IUPAC3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)NC1CCC1
InChIInChI=1S/C12H18N2O2/c1-2-14(9-11-7-4-8-16-11)12(15)13-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15)
InChIKeyBDQRZROKKRDDHJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.36
Rot. Bonds4

About 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea

3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea (PubChem CID 115617674) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
PubChem CID115617674
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)NC1CCC1
InChIInChI=1S/C12H18N2O2/c1-2-14(9-11-7-4-8-16-11)12(15)13-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15)
InChIKeyBDQRZROKKRDDHJ-UHFFFAOYSA-N
XLogP2.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea (CID 115617674) is 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea is CCN(Cc1ccco1)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea?
The InChIKey is BDQRZROKKRDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14(9-11-7-4-8-16-11)12(15)13-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15).
What are the key properties of 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea?
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 115617674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).