1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea

C20H26N2O3 — CID 113213639

IUPAC1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCCOc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-5-25-18-12-8-16(9-13-18)22-19(23)21-14-20(2,3)15-6-10-17(24-4)11-7-15/h6-13H,5,14H2,1-4H3,(H2,21,22,23)
InChIKeyNLFASOOYFWQELT-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.19
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea

1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213639) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
PubChem CID113213639
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCCOc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-5-25-18-12-8-16(9-13-18)22-19(23)21-14-20(2,3)15-6-10-17(24-4)11-7-15/h6-13H,5,14H2,1-4H3,(H2,21,22,23)
InChIKeyNLFASOOYFWQELT-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
1-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213671
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (CID 113213639) is 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is CCOc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The InChIKey is NLFASOOYFWQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-25-18-12-8-16(9-13-18)22-19(23)21-14-20(2,3)15-6-10-17(24-4)11-7-15/h6-13H,5,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).