3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea

C15H22N2O2 — CID 47186238

IUPAC3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-5-6-11(2)17(4)15(19)16-14-9-7-13(8-10-14)12(3)18/h7-11H,5-6H2,1-4H3,(H,16,19)
InChIKeyGNZVLLMBYXYDCL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.54
Rot. Bonds5

About 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea

3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea (PubChem CID 47186238) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
PubChem CID47186238
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
SMILESCCCC(C)N(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-5-6-11(2)17(4)15(19)16-14-9-7-13(8-10-14)12(3)18/h7-11H,5-6H2,1-4H3,(H,16,19)
InChIKeyGNZVLLMBYXYDCL-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 61202717
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3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea
CID 99697534
2-chloro-5-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201406
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
3-(4-acetylphenyl)-1-(2,2-difluoroethyl)-1-methylurea
CID 115612021
2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
CID 60724134
2-[(4-acetylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 60724260
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea (CID 47186238) is 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea is CCCC(C)N(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea?
The InChIKey is GNZVLLMBYXYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-6-11(2)17(4)15(19)16-14-9-7-13(8-10-14)12(3)18/h7-11H,5-6H2,1-4H3,(H,16,19).
What are the key properties of 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea?
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea has a molecular weight of 262.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea is sourced from PubChem (CID 47186238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).