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

C12H19N3O2 — CID 111117119

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCCO
InChIInChI=1S/C12H19N3O2/c1-3-15(2)11-7-5-4-6-10(11)14-12(17)13-8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H2,13,14,17)
InChIKeyMXCUIFZICGMKKJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds5

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

1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 111117119) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
PubChem CID111117119
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCCO
InChIInChI=1S/C12H19N3O2/c1-3-15(2)11-7-5-4-6-10(11)14-12(17)13-8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H2,13,14,17)
InChIKeyMXCUIFZICGMKKJ-UHFFFAOYSA-N
XLogP1.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea (CID 111117119) is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea is CCN(C)c1ccccc1NC(=O)NCCO.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is MXCUIFZICGMKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(2)11-7-5-4-6-10(11)14-12(17)13-8-9-16/h4-7,16H,3,8-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).