1-methyl-3-(4-methyl-2-propylphenyl)urea

C12H18N2O — CID 151994223

IUPAC1-methyl-3-(4-methyl-2-propylphenyl)urea
SMILESCCCc1cc(C)ccc1NC(=O)NC
InChIInChI=1S/C12H18N2O/c1-4-5-10-8-9(2)6-7-11(10)14-12(15)13-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyUFIFDRSIUAIQIJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-3-(4-methyl-2-propylphenyl)urea

1-methyl-3-(4-methyl-2-propylphenyl)urea (PubChem CID 151994223) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-2-propylphenyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-2-propylphenyl)urea
PubChem CID151994223
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methyl-3-(4-methyl-2-propylphenyl)urea
SMILESCCCc1cc(C)ccc1NC(=O)NC
InChIInChI=1S/C12H18N2O/c1-4-5-10-8-9(2)6-7-11(10)14-12(15)13-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyUFIFDRSIUAIQIJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(methylamino)-N-(2-propylphenyl)benzamide
CID 62509909
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
2-fluoro-4-methyl-N-(2-propylphenyl)benzamide
CID 79778827
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894
3-[5-methyl-2-(methylamino)phenyl]propanoic acid
CID 20546910
2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507184
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N,2-diethyl-4-methylaniline
CID 23348946

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-2-propylphenyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-2-propylphenyl)urea (CID 151994223) is 1-methyl-3-(4-methyl-2-propylphenyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-2-propylphenyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-2-propylphenyl)urea is CCCc1cc(C)ccc1NC(=O)NC.
What is the InChIKey of 1-methyl-3-(4-methyl-2-propylphenyl)urea?
The InChIKey is UFIFDRSIUAIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-5-10-8-9(2)6-7-11(10)14-12(15)13-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-(4-methyl-2-propylphenyl)urea?
1-methyl-3-(4-methyl-2-propylphenyl)urea has a molecular weight of 206.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-2-propylphenyl)urea is sourced from PubChem (CID 151994223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).