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

C14H22N2O3 — CID 111459245

IUPAC1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)14(18)15-11-12-7-5-6-8-13(12)19-10-9-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyZMPCXHQQCVFWIR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds7

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

1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111459245) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111459245
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCCN(CC)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C14H22N2O3/c1-3-16(4-2)14(18)15-11-12-7-5-6-8-13(12)19-10-9-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyZMPCXHQQCVFWIR-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 111459238
1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
CID 111459237
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
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

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111459245) is 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is CCN(CC)C(=O)NCc1ccccc1OCCO.
What is the InChIKey of 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is ZMPCXHQQCVFWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(4-2)14(18)15-11-12-7-5-6-8-13(12)19-10-9-17/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18).
What are the key properties of 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111459245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).