1-(4-ethylphenyl)-3-methylurea

C10H14N2O — CID 54250791

IUPAC1-(4-ethylphenyl)-3-methylurea
SMILESCCc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyMDOIHJZOPJTUHT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-ethylphenyl)-3-methylurea

1-(4-ethylphenyl)-3-methylurea (PubChem CID 54250791) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methylurea
PubChem CID54250791
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(4-ethylphenyl)-3-methylurea
SMILESCCc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyMDOIHJZOPJTUHT-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(4-benzylphenyl)-3-methylurea
CID 145326557
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-methyl-3-phenylurea;propane
CID 142949663
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
CID 46537872
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methylurea?
The IUPAC name of 1-(4-ethylphenyl)-3-methylurea (CID 54250791) is 1-(4-ethylphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methylurea?
The canonical SMILES for 1-(4-ethylphenyl)-3-methylurea is CCc1ccc(NC(=O)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methylurea?
The InChIKey is MDOIHJZOPJTUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(4-ethylphenyl)-3-methylurea?
1-(4-ethylphenyl)-3-methylurea has a molecular weight of 178.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methylurea is sourced from PubChem (CID 54250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).