1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea

C22H30N2O2 — CID 86943757

IUPAC1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
SMILESCC(C)C(CNC(=O)N(CCO)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-18(2)21(20-11-7-4-8-12-20)17-23-22(26)24(15-16-25)14-13-19-9-5-3-6-10-19/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26)
InChIKeyCQSYLBCECSZYGJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.67
Rot. Bonds9

About 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea

1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea (PubChem CID 86943757) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
PubChem CID86943757
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
SMILESCC(C)C(CNC(=O)N(CCO)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O2/c1-18(2)21(20-11-7-4-8-12-20)17-23-22(26)24(15-16-25)14-13-19-9-5-3-6-10-19/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26)
InChIKeyCQSYLBCECSZYGJ-UHFFFAOYSA-N
XLogP3.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-tris(2-phenylethyl)urea
CID 123287811
3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
CID 86943814
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid
CID 22722745
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
benzyl (2S)-2-[[2-hydroxyethyl-[2-(4-phenylphenyl)ethyl]carbamoyl]amino]propanoate
CID 90885461
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
tert-butyl (2S)-2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]amino]-3-phenylpropanoate
CID 90957147

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea (CID 86943757) is 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea is CC(C)C(CNC(=O)N(CCO)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea?
The InChIKey is CQSYLBCECSZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(2)21(20-11-7-4-8-12-20)17-23-22(26)24(15-16-25)14-13-19-9-5-3-6-10-19/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea?
1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea has a molecular weight of 354.49 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 86943757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).