1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C20H26N2O2 — CID 108880587

IUPAC1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCCN(C(=O)NC(C)Oc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-16(4)24-19-13-11-17(12-14-19)15(2)3/h6-16H,5H2,1-4H3,(H,21,23)
InChIKeyWAKNIQMHBIVVMH-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.77
Rot. Bonds6

About 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880587) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880587
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCCN(C(=O)NC(C)Oc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-16(4)24-19-13-11-17(12-14-19)15(2)3/h6-16H,5H2,1-4H3,(H,21,23)
InChIKeyWAKNIQMHBIVVMH-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 108879841
1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880670
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880655
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
N-ethyl-2-[[4-ethyl-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 43866937
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880587) is 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is CCN(C(=O)NC(C)Oc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is WAKNIQMHBIVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-16(4)24-19-13-11-17(12-14-19)15(2)3/h6-16H,5H2,1-4H3,(H,21,23).
What are the key properties of 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).