1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea

C13H22N2O2 — CID 115571913

IUPAC1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
SMILESCC(CCc1ccco1)NC(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(7-8-11-6-5-9-17-11)14-12(16)15-13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,14,15,16)
InChIKeySXSKTNWXSLWGST-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds4

About 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea

1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea (PubChem CID 115571913) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
PubChem CID115571913
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
SMILESCC(CCc1ccco1)NC(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-10(7-8-11-6-5-9-17-11)14-12(16)15-13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,14,15,16)
InChIKeySXSKTNWXSLWGST-UHFFFAOYSA-N
XLogP2.70
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea (CID 115571913) is 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea is CC(CCc1ccco1)NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The InChIKey is SXSKTNWXSLWGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(7-8-11-6-5-9-17-11)14-12(16)15-13(2,3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea?
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea has a molecular weight of 238.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 115571913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).