1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea

C18H22N2O3 — CID 111457991

IUPAC1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCc2ccccc2OCCO)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-4-6-15(11-14)12-19-18(22)20-13-16-7-2-3-8-17(16)23-10-9-21/h2-8,11,21H,9-10,12-13H2,1H3,(H2,19,20,22)
InChIKeyGDBWOPLDNRBDGK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.37
Rot. Bonds7

About 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea

1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 111457991) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID111457991
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCc2ccccc2OCCO)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-4-6-15(11-14)12-19-18(22)20-13-16-7-2-3-8-17(16)23-10-9-21/h2-8,11,21H,9-10,12-13H2,1H3,(H2,19,20,22)
InChIKeyGDBWOPLDNRBDGK-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971033
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
2-methyl-1-[(3-methylphenyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111901019
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
CID 108894571
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea (CID 111457991) is 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCc2ccccc2OCCO)c1.
What is the InChIKey of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is GDBWOPLDNRBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-4-6-15(11-14)12-19-18(22)20-13-16-7-2-3-8-17(16)23-10-9-21/h2-8,11,21H,9-10,12-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea?
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 111457991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).