1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea

C20H26N2O3 — CID 111335702

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-18(15-10-12-17(25-3)13-11-15)22-19(23)21-14-20(2,24)16-8-6-5-7-9-16/h5-13,18,24H,4,14H2,1-3H3,(H2,21,22,23)
InChIKeyZSZWOKXTUXUGKP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.35
Rot. Bonds7

About 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea

1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 111335702) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID111335702
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-18(15-10-12-17(25-3)13-11-15)22-19(23)21-14-20(2,24)16-8-6-5-7-9-16/h5-13,18,24H,4,14H2,1-3H3,(H2,21,22,23)
InChIKeyZSZWOKXTUXUGKP-UHFFFAOYSA-N
XLogP3.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111504080
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
CID 87000051
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea (CID 111335702) is 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)NCC(C)(O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is ZSZWOKXTUXUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-18(15-10-12-17(25-3)13-11-15)22-19(23)21-14-20(2,24)16-8-6-5-7-9-16/h5-13,18,24H,4,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 111335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).