(3-methylphenyl)methylurea

C9H12N2O — CID 60776531

IUPAC(3-methylphenyl)methylurea
SMILESCc1cccc(CNC(N)=O)c1
InChIInChI=1S/C9H12N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeyOARQYBFTOIZAPA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.16
Rot. Bonds2

About (3-methylphenyl)methylurea

(3-methylphenyl)methylurea (PubChem CID 60776531) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3-methylphenyl)methylurea.

Molecular Properties

Compound Name(3-methylphenyl)methylurea
PubChem CID60776531
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3-methylphenyl)methylurea
SMILESCc1cccc(CNC(N)=O)c1
InChIInChI=1S/C9H12N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeyOARQYBFTOIZAPA-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylphenyl)methylurea
CID 70298508
2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide
CID 71880205
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
3-[(carbamoylamino)methyl]benzamide
CID 166184789
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methylurea?
The IUPAC name of (3-methylphenyl)methylurea (CID 60776531) is (3-methylphenyl)methylurea.
What is the SMILES notation for (3-methylphenyl)methylurea?
The canonical SMILES for (3-methylphenyl)methylurea is Cc1cccc(CNC(N)=O)c1.
What is the InChIKey of (3-methylphenyl)methylurea?
The InChIKey is OARQYBFTOIZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12).
What are the key properties of (3-methylphenyl)methylurea?
(3-methylphenyl)methylurea has a molecular weight of 164.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methylurea is sourced from PubChem (CID 60776531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).