1-benzhydryl-3-(2-ethoxyphenyl)urea

C22H22N2O2 — CID 108867539

IUPAC1-benzhydryl-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-2-26-20-16-10-9-15-19(20)23-22(25)24-21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,23,24,25)
InChIKeyIMJYDPKHLCUIJJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.00
Rot. Bonds6

About 1-benzhydryl-3-(2-ethoxyphenyl)urea

1-benzhydryl-3-(2-ethoxyphenyl)urea (PubChem CID 108867539) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-ethoxyphenyl)urea
PubChem CID108867539
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-benzhydryl-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-2-26-20-16-10-9-15-19(20)23-22(25)24-21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,23,24,25)
InChIKeyIMJYDPKHLCUIJJ-UHFFFAOYSA-N
XLogP5.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 86987230
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-ethoxyphenyl)urea (CID 108867539) is 1-benzhydryl-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-ethoxyphenyl)urea?
The InChIKey is IMJYDPKHLCUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-26-20-16-10-9-15-19(20)23-22(25)24-21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,23,24,25).
What are the key properties of 1-benzhydryl-3-(2-ethoxyphenyl)urea?
1-benzhydryl-3-(2-ethoxyphenyl)urea has a molecular weight of 346.43 g/mol, XLogP of 5.00, 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-ethoxyphenyl)urea is sourced from PubChem (CID 108867539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).