1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea

C12H19N3O2 — CID 110894213

IUPAC1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)ccc1N(C)C
InChIInChI=1S/C12H19N3O2/c1-9-8-10(4-5-11(9)15(2)3)14-12(17)13-6-7-16/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14,17)
InChIKeyFSAUMTJETVFOIL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds4

About 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea

1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894213) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
PubChem CID110894213
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)ccc1N(C)C
InChIInChI=1S/C12H19N3O2/c1-9-8-10(4-5-11(9)15(2)3)14-12(17)13-6-7-16/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14,17)
InChIKeyFSAUMTJETVFOIL-UHFFFAOYSA-N
XLogP1.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4-dimethylphenyl)urea
CID 90554417
N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
CID 117059853
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea (CID 110894213) is 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea is Cc1cc(NC(=O)NCCO)ccc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is FSAUMTJETVFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-8-10(4-5-11(9)15(2)3)14-12(17)13-6-7-16/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea?
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).