1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea

C12H18N2O2 — CID 108914673

IUPAC1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
SMILESC/C(=C\NC(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C12H18N2O2/c1-9(2)10(3)7-13-12(15)14-8-11-5-4-6-16-11/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/b10-7+
InChIKeyCIRLDVZXPJRTKU-JXMROGBWSA-N
MW222.29 g/mol
LogP2.64
Rot. Bonds4

About 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea

1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea (PubChem CID 108914673) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
PubChem CID108914673
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
SMILESC/C(=C\NC(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C12H18N2O2/c1-9(2)10(3)7-13-12(15)14-8-11-5-4-6-16-11/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/b10-7+
InChIKeyCIRLDVZXPJRTKU-JXMROGBWSA-N
XLogP2.64
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
CID 119204949

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea (CID 108914673) is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea is C/C(=C\NC(=O)NCc1ccco1)C(C)C.
What is the InChIKey of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is CIRLDVZXPJRTKU-JXMROGBWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)10(3)7-13-12(15)14-8-11-5-4-6-16-11/h4-7,9H,8H2,1-3H3,(H2,13,14,15)/b10-7+.
What are the key properties of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea?
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 108914673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).