1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea

C20H26N2O3 — CID 108877128

IUPAC1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
SMILESCCCCc1ccc(NC(=O)NCOc2ccccc2OCC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-5-8-16-11-13-17(14-12-16)22-20(23)21-15-25-19-10-7-6-9-18(19)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H2,21,22,23)
InChIKeyFTQRVYCLRIICKB-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.59
Rot. Bonds9

About 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea

1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea (PubChem CID 108877128) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
PubChem CID108877128
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
SMILESCCCCc1ccc(NC(=O)NCOc2ccccc2OCC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-5-8-16-11-13-17(14-12-16)22-20(23)21-15-25-19-10-7-6-9-18(19)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H2,21,22,23)
InChIKeyFTQRVYCLRIICKB-UHFFFAOYSA-N
XLogP4.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331
1-(4-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870572
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea (CID 108877128) is 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea is CCCCc1ccc(NC(=O)NCOc2ccccc2OCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea?
The InChIKey is FTQRVYCLRIICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-5-8-16-11-13-17(14-12-16)22-20(23)21-15-25-19-10-7-6-9-18(19)24-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea?
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108877128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).