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

C20H20N2O3 — CID 71798424

IUPAC1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(17-11-12-25-14-17)13-21-20(24)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18-19,23H,13H2,(H2,21,22,24)
InChIKeyZZUUURNZTBYPRG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.40
Rot. Bonds6

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

1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea (PubChem CID 71798424) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
PubChem CID71798424
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccoc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(17-11-12-25-14-17)13-21-20(24)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18-19,23H,13H2,(H2,21,22,24)
InChIKeyZZUUURNZTBYPRG-UHFFFAOYSA-N
XLogP3.40
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986653
2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986621
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986654
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
CID 97040675
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[furan-3-yl(phenyl)methyl]urea
CID 167874326
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea (CID 71798424) is 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccoc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea?
The InChIKey is ZZUUURNZTBYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(17-11-12-25-14-17)13-21-20(24)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18-19,23H,13H2,(H2,21,22,24).
What are the key properties of 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea?
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea has a molecular weight of 336.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 71798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).