1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea

C20H26N2O — CID 3705190

IUPAC1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H26N2O/c1-5-6-7-17-8-10-18(11-9-17)21-20(23)22-19-13-15(3)14(2)12-16(19)4/h8-13H,5-7H2,1-4H3,(H2,21,22,23)
InChIKeyOXLNBOHKXOIGHC-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.60
Rot. Bonds5

About 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea

1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea (PubChem CID 3705190) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
PubChem CID3705190
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H26N2O/c1-5-6-7-17-8-10-18(11-9-17)21-20(23)22-19-13-15(3)14(2)12-16(19)4/h8-13H,5-7H2,1-4H3,(H2,21,22,23)
InChIKeyOXLNBOHKXOIGHC-UHFFFAOYSA-N
XLogP5.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-benzyl-1-[(4-butylphenyl)methyl]-3-(2,4,5-trimethylphenyl)urea
CID 15137604
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
1-(4-butylphenyl)-3-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]urea
CID 159292484
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea (CID 3705190) is 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea is CCCCc1ccc(NC(=O)Nc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea?
The InChIKey is OXLNBOHKXOIGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-6-7-17-8-10-18(11-9-17)21-20(23)22-19-13-15(3)14(2)12-16(19)4/h8-13H,5-7H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea?
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea has a molecular weight of 310.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 3705190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).