1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea

C20H24N2O3 — CID 112972467

IUPAC1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2cccc(C(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-6-5-9-19(13-16)25-11-10-21-20(24)22-18-8-4-7-17(12-18)15(3)23/h4-9,12-14H,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyNIFQYSQYHGAFHD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.21
Rot. Bonds7

About 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea

1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972467) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972467
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2cccc(C(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-6-5-9-19(13-16)25-11-10-21-20(24)22-18-8-4-7-17(12-18)15(3)23/h4-9,12-14H,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyNIFQYSQYHGAFHD-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
1-(1,3-benzodioxol-5-yl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972484
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (CID 112972467) is 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is CC(=O)c1cccc(NC(=O)NCCOc2cccc(C(C)C)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is NIFQYSQYHGAFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)16-6-5-9-19(13-16)25-11-10-21-20(24)22-18-8-4-7-17(12-18)15(3)23/h4-9,12-14H,10-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 340.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).