1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea

C19H24N2O2 — CID 108874274

IUPAC1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-5-6-15-7-9-16(10-8-15)20-19(22)21-17-11-13-18(14-12-17)23-4-2/h7-14H,3-6H2,1-2H3,(H2,20,21,22)
InChIKeyLOYRELVDMYUKLZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.07
Rot. Bonds7

About 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea

1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea (PubChem CID 108874274) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
PubChem CID108874274
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-5-6-15-7-9-16(10-8-15)20-19(22)21-17-11-13-18(14-12-17)23-4-2/h7-14H,3-6H2,1-2H3,(H2,20,21,22)
InChIKeyLOYRELVDMYUKLZ-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877128
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373137
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
1-(4-butoxyphenyl)-3-methylurea
CID 127511148

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea (CID 108874274) is 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea is CCCCc1ccc(NC(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is LOYRELVDMYUKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-5-6-15-7-9-16(10-8-15)20-19(22)21-17-11-13-18(14-12-17)23-4-2/h7-14H,3-6H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea?
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 108874274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).