3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea

C20H24N2O3 — CID 151198154

IUPAC3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCCC2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-7-12-19(25-14)13-22(18-5-3-4-6-18)20(24)21-17-10-8-16(9-11-17)15(2)23/h7-12,18H,3-6,13H2,1-2H3,(H,21,24)
InChIKeyNHTAVOAIAWVROD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.77
Rot. Bonds5

About 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea

3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 151198154) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID151198154
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCCC2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-7-12-19(25-14)13-22(18-5-3-4-6-18)20(24)21-17-10-8-16(9-11-17)15(2)23/h7-12,18H,3-6,13H2,1-2H3,(H,21,24)
InChIKeyNHTAVOAIAWVROD-UHFFFAOYSA-N
XLogP4.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 151198154) is 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea is CC(=O)c1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCCC2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is NHTAVOAIAWVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-12-19(25-14)13-22(18-5-3-4-6-18)20(24)21-17-10-8-16(9-11-17)15(2)23/h7-12,18H,3-6,13H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea?
3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 340.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 151198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).