1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

C13H22N2O2 — CID 108868503

IUPAC1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1ccco1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)9-13(4,5)15-11(16)14-10-7-6-8-17-10/h6-8H,9H2,1-5H3,(H2,14,15,16)
InChIKeyGLOQGYNLEGBOAX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.62
Rot. Bonds3

About 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 108868503) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID108868503
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1ccco1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)9-13(4,5)15-11(16)14-10-7-6-8-17-10/h6-8H,9H2,1-5H3,(H2,14,15,16)
InChIKeyGLOQGYNLEGBOAX-UHFFFAOYSA-N
XLogP3.62
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-3-(trifluoromethyl)urea
CID 151624320
1-amino-3-(furan-2-yl)urea
CID 11768663
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108813745
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
[3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)phenyl] acetate
CID 108865245
1-(3-chloro-4-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10086074
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 100544884
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108903266
1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
CID 108868559
propan-2-yl N-(furan-2-yl)carbamate
CID 12774670
2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
CID 115285428

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 108868503) is 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)Nc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is GLOQGYNLEGBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2,3)9-13(4,5)15-11(16)14-10-7-6-8-17-10/h6-8H,9H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 108868503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).