1-benzyl-1-ethyl-3-(furan-2-yl)urea

C14H16N2O2 — CID 108868477

IUPAC1-benzyl-1-ethyl-3-(furan-2-yl)urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccco1
InChIInChI=1S/C14H16N2O2/c1-2-16(11-12-7-4-3-5-8-12)14(17)15-13-9-6-10-18-13/h3-10H,2,11H2,1H3,(H,15,17)
InChIKeyIRFPYVUNKIBNJV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.33
Rot. Bonds4

About 1-benzyl-1-ethyl-3-(furan-2-yl)urea

1-benzyl-1-ethyl-3-(furan-2-yl)urea (PubChem CID 108868477) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-(furan-2-yl)urea
PubChem CID108868477
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-benzyl-1-ethyl-3-(furan-2-yl)urea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccco1
InChIInChI=1S/C14H16N2O2/c1-2-16(11-12-7-4-3-5-8-12)14(17)15-13-9-6-10-18-13/h3-10H,2,11H2,1H3,(H,15,17)
InChIKeyIRFPYVUNKIBNJV-UHFFFAOYSA-N
XLogP3.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-(3-furylmethylene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1909759
4-Amino-N-furan-2-yl-benzamide
CID 774475
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
(5Z)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1909760
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
N-[2-(2-furyl)vinyl]-N'-(4-methylphenyl)urea
CID 5524101
3-Amino-N-furan-2-yl-benzamide
CID 648090
Furan-2-yl-(1-phenyl-but-3-enyl)-amine
CID 6603343
1-(2-(5-(Furan-2-yl)-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 45273221
1-(2-{[Cyclohexyl(methyl)amino]methyl}phenyl)-3-[(furan-3-yl)methyl]urea
CID 47038967
N',N'-dimethyl-N-(5-phenylfuran-2-yl)propane-1,3-diamine
CID 137650791

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-(furan-2-yl)urea?
The IUPAC name of 1-benzyl-1-ethyl-3-(furan-2-yl)urea (CID 108868477) is 1-benzyl-1-ethyl-3-(furan-2-yl)urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-(furan-2-yl)urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-(furan-2-yl)urea is CCN(Cc1ccccc1)C(=O)Nc1ccco1.
What is the InChIKey of 1-benzyl-1-ethyl-3-(furan-2-yl)urea?
The InChIKey is IRFPYVUNKIBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16(11-12-7-4-3-5-8-12)14(17)15-13-9-6-10-18-13/h3-10H,2,11H2,1H3,(H,15,17).
What are the key properties of 1-benzyl-1-ethyl-3-(furan-2-yl)urea?
1-benzyl-1-ethyl-3-(furan-2-yl)urea has a molecular weight of 244.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-(furan-2-yl)urea is sourced from PubChem (CID 108868477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).