1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea

C18H18N2O3 — CID 3244728

IUPAC1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
SMILESCC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-14(17-10-6-12-23-17)20(13-16-9-5-11-22-16)18(21)19-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,19,21)
InChIKeyYZCQJHXRIWFKSH-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.67
Rot. Bonds5

About 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea

1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea (PubChem CID 3244728) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
PubChem CID3244728
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
SMILESCC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-14(17-10-6-12-23-17)20(13-16-9-5-11-22-16)18(21)19-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,19,21)
InChIKeyYZCQJHXRIWFKSH-UHFFFAOYSA-N
XLogP4.67
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 4523827
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
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
2-[[(2R)-butan-2-yl]-(phenylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225456
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
3-(3-fluorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)urea
CID 11670555
1-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135779833
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea (CID 3244728) is 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea is CC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The InChIKey is YZCQJHXRIWFKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-14(17-10-6-12-23-17)20(13-16-9-5-11-22-16)18(21)19-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,19,21).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea?
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea has a molecular weight of 310.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea is sourced from PubChem (CID 3244728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).