1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea

C18H22N2O2 — CID 108891247

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)10-11-19-18(22)20-12-16-6-8-17(13-21)9-7-16/h2-9,21H,10-13H2,1H3,(H2,19,20,22)
InChIKeyNMOUIDGOAKNASK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.53
Rot. Bonds6

About 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891247) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891247
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)10-11-19-18(22)20-12-16-6-8-17(13-21)9-7-16/h2-9,21H,10-13H2,1H3,(H2,19,20,22)
InChIKeyNMOUIDGOAKNASK-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108891247) is 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NCc2ccc(CO)cc2)cc1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is NMOUIDGOAKNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-2-4-15(5-3-14)10-11-19-18(22)20-12-16-6-8-17(13-21)9-7-16/h2-9,21H,10-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).