1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea

C14H24N2O3 — CID 111499070

IUPAC1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
SMILESCCC(CC)(CCO)CNC(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2,7-8-17)11-16-13(18)15-10-12-6-5-9-19-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3,(H2,15,16,18)
InChIKeyXGLIKMFIHYEEGF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds8

About 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea

1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea (PubChem CID 111499070) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
PubChem CID111499070
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
SMILESCCC(CC)(CCO)CNC(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-3-14(4-2,7-8-17)11-16-13(18)15-10-12-6-5-9-19-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3,(H2,15,16,18)
InChIKeyXGLIKMFIHYEEGF-UHFFFAOYSA-N
XLogP2.27
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499050
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106255709
1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437101
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea (CID 111499070) is 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea is CCC(CC)(CCO)CNC(=O)NCc1ccco1.
What is the InChIKey of 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is XGLIKMFIHYEEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(4-2,7-8-17)11-16-13(18)15-10-12-6-5-9-19-12/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea?
1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 268.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 111499070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).