1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea

C22H28N2O2 — CID 56764379

IUPAC1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20(17-10-4-1-5-11-17)16-23-22(26)24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-21,25H,1,4-5,10-11,16H2,(H2,23,24,26)
InChIKeyIGOATMMFZWVNHT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.02
Rot. Bonds6

About 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea

1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea (PubChem CID 56764379) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea
PubChem CID56764379
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20(17-10-4-1-5-11-17)16-23-22(26)24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-21,25H,1,4-5,10-11,16H2,(H2,23,24,26)
InChIKeyIGOATMMFZWVNHT-UHFFFAOYSA-N
XLogP4.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea (CID 56764379) is 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CCCCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The InChIKey is IGOATMMFZWVNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20(17-10-4-1-5-11-17)16-23-22(26)24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-21,25H,1,4-5,10-11,16H2,(H2,23,24,26).
What are the key properties of 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea?
1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea has a molecular weight of 352.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea is sourced from PubChem (CID 56764379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).