1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea

C20H26N2O3 — CID 38202852

IUPAC1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCCCCc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-5-6-15-7-10-17(11-8-15)22-20(23)21-14-16-9-12-18(24-2)19(13-16)25-3/h7-13H,4-6,14H2,1-3H3,(H2,21,22,23)
InChIKeyBBLKRNSRJWHFBS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.37
Rot. Bonds8

About 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea

1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea (PubChem CID 38202852) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
PubChem CID38202852
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCCCCc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-5-6-15-7-10-17(11-8-15)22-20(23)21-14-16-9-12-18(24-2)19(13-16)25-3/h7-13H,4-6,14H2,1-3H3,(H2,21,22,23)
InChIKeyBBLKRNSRJWHFBS-UHFFFAOYSA-N
XLogP4.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea (CID 38202852) is 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea is CCCCc1ccc(NC(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea?
The InChIKey is BBLKRNSRJWHFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-5-6-15-7-10-17(11-8-15)22-20(23)21-14-16-9-12-18(24-2)19(13-16)25-3/h7-13H,4-6,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea?
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 38202852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).