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

C11H18N2O2 — CID 115571916

IUPAC1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
SMILESCCNC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C11H18N2O2/c1-3-12-11(14)13-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyBXXNOGBCPZIXGN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.92
Rot. Bonds5

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

1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea (PubChem CID 115571916) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
PubChem CID115571916
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
SMILESCCNC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C11H18N2O2/c1-3-12-11(14)13-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyBXXNOGBCPZIXGN-UHFFFAOYSA-N
XLogP1.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
4-[2-(ethylamino)-2-oxoethoxy]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 42944232
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea (CID 115571916) is 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea is CCNC(=O)NC(C)CCc1ccco1.
What is the InChIKey of 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea?
The InChIKey is BXXNOGBCPZIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-12-11(14)13-9(2)6-7-10-5-4-8-15-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea?
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea has a molecular weight of 210.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 115571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).