1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea

C19H24N2O — CID 108894025

IUPAC1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-5-6-16-8-11-17(12-9-16)20-19(22)21-18-10-7-14(2)15(3)13-18/h7-13H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyZVIYUDPCOAEVMA-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.29
Rot. Bonds5

About 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea

1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 108894025) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID108894025
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-5-6-16-8-11-17(12-9-16)20-19(22)21-18-10-7-14(2)15(3)13-18/h7-13H,4-6H2,1-3H3,(H2,20,21,22)
InChIKeyZVIYUDPCOAEVMA-UHFFFAOYSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3705190
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1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-bromophenyl)-3-(4-butylphenyl)urea
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1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-butylphenyl)-3-[3-[(4-chlorophenyl)methylsulfonyl]-4-methylphenyl]urea
CID 159292484
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
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CID 108879503

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea (CID 108894025) is 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea is CCCCc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is ZVIYUDPCOAEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-5-6-16-8-11-17(12-9-16)20-19(22)21-18-10-7-14(2)15(3)13-18/h7-13H,4-6H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea?
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 296.41 g/mol, XLogP of 5.29, 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-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 108894025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).