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

C20H22N2O3 — CID 4523827

IUPAC3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1
InChIInChI=1S/C20H22N2O3/c1-3-16-8-10-17(11-9-16)21-20(23)22(14-18-6-4-12-24-18)15(2)19-7-5-13-25-19/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyNFMGCPWBMZIJIK-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.23
Rot. Bonds6

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

3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea (PubChem CID 4523827) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
PubChem CID4523827
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1
InChIInChI=1S/C20H22N2O3/c1-3-16-8-10-17(11-9-16)21-20(23)22(14-18-6-4-12-24-18)15(2)19-7-5-13-25-19/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyNFMGCPWBMZIJIK-UHFFFAOYSA-N
XLogP5.23
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
CID 42709329
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
CID 5195902
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
ethyl 4-[[[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 42773525
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709021
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide
CID 655436
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea (CID 4523827) is 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea is CCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is NFMGCPWBMZIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-16-8-10-17(11-9-16)21-20(23)22(14-18-6-4-12-24-18)15(2)19-7-5-13-25-19/h4-13,15H,3,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 4523827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).