1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea

C18H22N2O3 — CID 110909282

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-2-20(12-13-21)18(22)19-14-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,21H,2,12-14H2,1H3,(H,19,22)
InChIKeyPDSHOFCOBMKLTK-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.00
Rot. Bonds7

About 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea (PubChem CID 110909282) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
PubChem CID110909282
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-2-20(12-13-21)18(22)19-14-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,21H,2,12-14H2,1H3,(H,19,22)
InChIKeyPDSHOFCOBMKLTK-UHFFFAOYSA-N
XLogP3.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea (CID 110909282) is 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea is CCN(CCO)C(=O)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea?
The InChIKey is PDSHOFCOBMKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-20(12-13-21)18(22)19-14-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,21H,2,12-14H2,1H3,(H,19,22).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea has a molecular weight of 314.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 110909282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).