1-amino-3-(4-ethoxyphenyl)-1-methylurea

C10H15N3O2 — CID 154129806

IUPAC1-amino-3-(4-ethoxyphenyl)-1-methylurea
SMILESCCOc1ccc(NC(=O)N(C)N)cc1
InChIInChI=1S/C10H15N3O2/c1-3-15-9-6-4-8(5-7-9)12-10(14)13(2)11/h4-7H,3,11H2,1-2H3,(H,12,14)
InChIKeyDWVLZWUOBUBHRK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.42
Rot. Bonds3

About 1-amino-3-(4-ethoxyphenyl)-1-methylurea

1-amino-3-(4-ethoxyphenyl)-1-methylurea (PubChem CID 154129806) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-amino-3-(4-ethoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-amino-3-(4-ethoxyphenyl)-1-methylurea
PubChem CID154129806
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-amino-3-(4-ethoxyphenyl)-1-methylurea
SMILESCCOc1ccc(NC(=O)N(C)N)cc1
InChIInChI=1S/C10H15N3O2/c1-3-15-9-6-4-8(5-7-9)12-10(14)13(2)11/h4-7H,3,11H2,1-2H3,(H,12,14)
InChIKeyDWVLZWUOBUBHRK-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
CID 121008998
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-ethoxyphenyl)-1-methylurea?
The IUPAC name of 1-amino-3-(4-ethoxyphenyl)-1-methylurea (CID 154129806) is 1-amino-3-(4-ethoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-amino-3-(4-ethoxyphenyl)-1-methylurea?
The canonical SMILES for 1-amino-3-(4-ethoxyphenyl)-1-methylurea is CCOc1ccc(NC(=O)N(C)N)cc1.
What is the InChIKey of 1-amino-3-(4-ethoxyphenyl)-1-methylurea?
The InChIKey is DWVLZWUOBUBHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-9-6-4-8(5-7-9)12-10(14)13(2)11/h4-7H,3,11H2,1-2H3,(H,12,14).
What are the key properties of 1-amino-3-(4-ethoxyphenyl)-1-methylurea?
1-amino-3-(4-ethoxyphenyl)-1-methylurea has a molecular weight of 209.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-ethoxyphenyl)-1-methylurea is sourced from PubChem (CID 154129806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).