(3-ethylphenyl)methylurea

C10H14N2O — CID 70298508

IUPAC(3-ethylphenyl)methylurea
SMILESCCc1cccc(CNC(N)=O)c1
InChIInChI=1S/C10H14N2O/c1-2-8-4-3-5-9(6-8)7-12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13)
InChIKeyWBYFRFGEGSOXET-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.42
Rot. Bonds3

About (3-ethylphenyl)methylurea

(3-ethylphenyl)methylurea (PubChem CID 70298508) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (3-ethylphenyl)methylurea.

Molecular Properties

Compound Name(3-ethylphenyl)methylurea
PubChem CID70298508
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(3-ethylphenyl)methylurea
SMILESCCc1cccc(CNC(N)=O)c1
InChIInChI=1S/C10H14N2O/c1-2-8-4-3-5-9(6-8)7-12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13)
InChIKeyWBYFRFGEGSOXET-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylphenyl)methylurea
CID 60776531
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
benzene;benzylurea;hydrazine
CID 68793593
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 174196538
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
5-(3-ethylphenyl)-4-oxopentanamide
CID 90850314
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
CID 142205419
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)methylurea?
The IUPAC name of (3-ethylphenyl)methylurea (CID 70298508) is (3-ethylphenyl)methylurea.
What is the SMILES notation for (3-ethylphenyl)methylurea?
The canonical SMILES for (3-ethylphenyl)methylurea is CCc1cccc(CNC(N)=O)c1.
What is the InChIKey of (3-ethylphenyl)methylurea?
The InChIKey is WBYFRFGEGSOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-8-4-3-5-9(6-8)7-12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13).
What are the key properties of (3-ethylphenyl)methylurea?
(3-ethylphenyl)methylurea has a molecular weight of 178.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)methylurea is sourced from PubChem (CID 70298508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).