3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea

C18H20N2O2 — CID 74225561

IUPAC3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(=O)c1ccc(NC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)20(17-7-5-4-6-8-17)18(22)19-16-11-9-15(10-12-16)14(3)21/h4-13H,1-3H3,(H,19,22)
InChIKeyAESFCJLJIKKMTG-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.34
Rot. Bonds4

About 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea

3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea (PubChem CID 74225561) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
PubChem CID74225561
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
SMILESCC(=O)c1ccc(NC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)20(17-7-5-4-6-8-17)18(22)19-16-11-9-15(10-12-16)14(3)21/h4-13H,1-3H3,(H,19,22)
InChIKeyAESFCJLJIKKMTG-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
CID 61346463
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
lithium 1-phenylethanone
CID 22269591
2-[(4-acetylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 60724260
3-hydroxybutan-2-one;1-phenylethanone
CID 70281576
1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
CID 11176437
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea (CID 74225561) is 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea is CC(=O)c1ccc(NC(=O)N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea?
The InChIKey is AESFCJLJIKKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(2)20(17-7-5-4-6-8-17)18(22)19-16-11-9-15(10-12-16)14(3)21/h4-13H,1-3H3,(H,19,22).
What are the key properties of 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea?
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea has a molecular weight of 296.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 74225561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).