1-(3-ethoxyphenyl)-3-methylurea

C10H14N2O2 — CID 115584262

IUPAC1-(3-ethoxyphenyl)-3-methylurea
SMILESCCOc1cccc(NC(=O)NC)c1
InChIInChI=1S/C10H14N2O2/c1-3-14-9-6-4-5-8(7-9)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyVSJFNCRFDCHJSA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.84
Rot. Bonds3

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

1-(3-ethoxyphenyl)-3-methylurea (PubChem CID 115584262) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-methylurea
PubChem CID115584262
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-ethoxyphenyl)-3-methylurea
SMILESCCOc1cccc(NC(=O)NC)c1
InChIInChI=1S/C10H14N2O2/c1-3-14-9-6-4-5-8(7-9)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyVSJFNCRFDCHJSA-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
CID 54967319
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-methylurea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-methylurea (CID 115584262) is 1-(3-ethoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-methylurea is CCOc1cccc(NC(=O)NC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-methylurea?
The InChIKey is VSJFNCRFDCHJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-9-6-4-5-8(7-9)12-10(13)11-2/h4-7H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(3-ethoxyphenyl)-3-methylurea?
1-(3-ethoxyphenyl)-3-methylurea has a molecular weight of 194.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-methylurea is sourced from PubChem (CID 115584262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).