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

C18H22N2O3 — CID 121112092

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(22,15-6-4-3-5-7-15)13-20-17(21)19-12-14-8-10-16(23-2)11-9-14/h3-11,22H,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyMDJSTWMWFWMHFW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.40
Rot. Bonds6

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

1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 121112092) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID121112092
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(22,15-6-4-3-5-7-15)13-20-17(21)19-12-14-8-10-16(23-2)11-9-14/h3-11,22H,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyMDJSTWMWFWMHFW-UHFFFAOYSA-N
XLogP2.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide
CID 138558880
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
CID 71782105
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea (CID 121112092) is 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is MDJSTWMWFWMHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(22,15-6-4-3-5-7-15)13-20-17(21)19-12-14-8-10-16(23-2)11-9-14/h3-11,22H,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.40, 6 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-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 121112092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).