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

C13H20N2O2 — CID 108897193

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-3-15(8-9-16)13(17)14-10-12-7-5-4-6-11(12)2/h4-7,16H,3,8-10H2,1-2H3,(H,14,17)
InChIKeyMYTRGFWAINQTQO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds5

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

1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea (PubChem CID 108897193) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
PubChem CID108897193
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-3-15(8-9-16)13(17)14-10-12-7-5-4-6-11(12)2/h4-7,16H,3,8-10H2,1-2H3,(H,14,17)
InChIKeyMYTRGFWAINQTQO-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea (CID 108897193) is 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea is CCN(CCO)C(=O)NCc1ccccc1C.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea?
The InChIKey is MYTRGFWAINQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(8-9-16)13(17)14-10-12-7-5-4-6-11(12)2/h4-7,16H,3,8-10H2,1-2H3,(H,14,17).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea has a molecular weight of 236.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108897193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).