1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea

C12H19N3O — CID 155602342

IUPAC1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea
SMILESCCc1ccc(C)cc1NC(=O)NN(C)C
InChIInChI=1S/C12H19N3O/c1-5-10-7-6-9(2)8-11(10)13-12(16)14-15(3)4/h6-8H,5H2,1-4H3,(H2,13,14,16)
InChIKeyFYGZUCMBAHPLMM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds3

About 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea

1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea (PubChem CID 155602342) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea
PubChem CID155602342
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea
SMILESCCc1ccc(C)cc1NC(=O)NN(C)C
InChIInChI=1S/C12H19N3O/c1-5-10-7-6-9(2)8-11(10)13-12(16)14-15(3)4/h6-8H,5H2,1-4H3,(H2,13,14,16)
InChIKeyFYGZUCMBAHPLMM-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-[2-(bromomethyl)phenyl]-3-(dimethylamino)urea
CID 18789815
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
N,2-diethyl-5-methylaniline;ethane
CID 143835073
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116849913
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847676
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea?
The IUPAC name of 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea (CID 155602342) is 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea.
What is the SMILES notation for 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea?
The canonical SMILES for 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea is CCc1ccc(C)cc1NC(=O)NN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea?
The InChIKey is FYGZUCMBAHPLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-10-7-6-9(2)8-11(10)13-12(16)14-15(3)4/h6-8H,5H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea?
1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea has a molecular weight of 221.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2-ethyl-5-methylphenyl)urea is sourced from PubChem (CID 155602342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).