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

C14H22N2O2 — CID 111455825

IUPAC1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCCc1ccccc1CNC(=O)N(CC)CCO
InChIInChI=1S/C14H22N2O2/c1-3-12-7-5-6-8-13(12)11-15-14(18)16(4-2)9-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyZXBXLGDKSYANPE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds6

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

1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 111455825) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID111455825
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
SMILESCCc1ccccc1CNC(=O)N(CC)CCO
InChIInChI=1S/C14H22N2O2/c1-3-12-7-5-6-8-13(12)11-15-14(18)16(4-2)9-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyZXBXLGDKSYANPE-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
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
3-[[2-[(dioctadecylcarbamoylamino)methyl]phenyl]methyl]-1,1-dioctadecylurea
CID 140525948
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
3-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111508730
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea (CID 111455825) is 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea is CCc1ccccc1CNC(=O)N(CC)CCO.
What is the InChIKey of 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is ZXBXLGDKSYANPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-7-5-6-8-13(12)11-15-14(18)16(4-2)9-10-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea?
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 250.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111455825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).