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

C25H28N2O3 — CID 90497661

IUPAC1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-25(29,22-12-10-21(11-13-22)20-6-4-3-5-7-20)18-27-24(28)26-17-16-19-8-14-23(30-2)15-9-19/h3-15,29H,16-18H2,1-2H3,(H2,26,27,28)
InChIKeySOPDNUHCPLIFBG-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.11
Rot. Bonds8

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

1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 90497661) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID90497661
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-25(29,22-12-10-21(11-13-22)20-6-4-3-5-7-20)18-27-24(28)26-17-16-19-8-14-23(30-2)15-9-19/h3-15,29H,16-18H2,1-2H3,(H2,26,27,28)
InChIKeySOPDNUHCPLIFBG-UHFFFAOYSA-N
XLogP4.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95982926
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
1-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95984566
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 90497661) is 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is SOPDNUHCPLIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-25(29,22-12-10-21(11-13-22)20-6-4-3-5-7-20)18-27-24(28)26-17-16-19-8-14-23(30-2)15-9-19/h3-15,29H,16-18H2,1-2H3,(H2,26,27,28).
What are the key properties of 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 404.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 90497661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).