1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea

C12H18N2O3 — CID 110895646

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-2-14(7-8-15)12(17)13-9-10-3-5-11(16)6-4-10/h3-6,15-16H,2,7-9H2,1H3,(H,13,17)
InChIKeyJJXQKECKLAYPSZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.92
Rot. Bonds5

About 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea (PubChem CID 110895646) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
PubChem CID110895646
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O3/c1-2-14(7-8-15)12(17)13-9-10-3-5-11(16)6-4-10/h3-6,15-16H,2,7-9H2,1H3,(H,13,17)
InChIKeyJJXQKECKLAYPSZ-UHFFFAOYSA-N
XLogP0.92
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea (CID 110895646) is 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea is CCN(CCO)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The InChIKey is JJXQKECKLAYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14(7-8-15)12(17)13-9-10-3-5-11(16)6-4-10/h3-6,15-16H,2,7-9H2,1H3,(H,13,17).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea has a molecular weight of 238.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 110895646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).