3-(4-acetylphenyl)-1-methyl-1-pentylurea

C15H22N2O2 — CID 61347403

IUPAC3-(4-acetylphenyl)-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-11-17(3)15(19)16-14-9-7-13(8-10-14)12(2)18/h7-10H,4-6,11H2,1-3H3,(H,16,19)
InChIKeyZCPHSIYOWGEWPK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.54
Rot. Bonds6

About 3-(4-acetylphenyl)-1-methyl-1-pentylurea

3-(4-acetylphenyl)-1-methyl-1-pentylurea (PubChem CID 61347403) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-methyl-1-pentylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-methyl-1-pentylurea
PubChem CID61347403
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-acetylphenyl)-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-11-17(3)15(19)16-14-9-7-13(8-10-14)12(2)18/h7-10H,4-6,11H2,1-3H3,(H,16,19)
InChIKeyZCPHSIYOWGEWPK-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
CID 47334598
3-(4-acetylphenyl)-1,1-dipentylthiourea
CID 19653315
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
3-(4-acetylphenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 78924912
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
CID 60724134
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
3-(4-acetylphenyl)-1-(2,2-difluoroethyl)-1-methylurea
CID 115612021
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-pentylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-pentylurea (CID 61347403) is 3-(4-acetylphenyl)-1-methyl-1-pentylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-methyl-1-pentylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-methyl-1-pentylurea is CCCCCN(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-methyl-1-pentylurea?
The InChIKey is ZCPHSIYOWGEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-6-11-17(3)15(19)16-14-9-7-13(8-10-14)12(2)18/h7-10H,4-6,11H2,1-3H3,(H,16,19).
What are the key properties of 3-(4-acetylphenyl)-1-methyl-1-pentylurea?
3-(4-acetylphenyl)-1-methyl-1-pentylurea has a molecular weight of 262.35 g/mol, XLogP of 3.54, 6 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-pentylurea is sourced from PubChem (CID 61347403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).