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

C20H20N2O2 — CID 71798567

IUPAC1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
SMILESO=C(NCCc1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20(21-13-11-16-12-14-24-15-16)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14-15,19H,11,13H2,(H2,21,22,23)
InChIKeyOTNVGQDJULSODO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.91
Rot. Bonds6

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

1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea (PubChem CID 71798567) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
PubChem CID71798567
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
SMILESO=C(NCCc1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-20(21-13-11-16-12-14-24-15-16)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14-15,19H,11,13H2,(H2,21,22,23)
InChIKeyOTNVGQDJULSODO-UHFFFAOYSA-N
XLogP3.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-benzhydryl-3-octadecylurea
CID 142646590
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
2-(2-chlorophenyl)-N-[2-(furan-3-yl)ethyl]acetamide
CID 71798453
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea (CID 71798567) is 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea is O=C(NCCc1ccoc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea?
The InChIKey is OTNVGQDJULSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(21-13-11-16-12-14-24-15-16)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14-15,19H,11,13H2,(H2,21,22,23).
What are the key properties of 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea?
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea has a molecular weight of 320.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea is sourced from PubChem (CID 71798567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).