1,1-dibutyl-3-(4-methoxyphenyl)urea

C16H26N2O2 — CID 3559325

IUPAC1,1-dibutyl-3-(4-methoxyphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-12-18(13-7-5-2)16(19)17-14-8-10-15(20-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyOMLOKUUYXXMXED-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.13
Rot. Bonds8

About 1,1-dibutyl-3-(4-methoxyphenyl)urea

1,1-dibutyl-3-(4-methoxyphenyl)urea (PubChem CID 3559325) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,1-dibutyl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(4-methoxyphenyl)urea
PubChem CID3559325
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1,1-dibutyl-3-(4-methoxyphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-12-18(13-7-5-2)16(19)17-14-8-10-15(20-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyOMLOKUUYXXMXED-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(4-methoxyphenyl)urea (CID 3559325) is 1,1-dibutyl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(4-methoxyphenyl)urea is CCCCN(CCCC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1,1-dibutyl-3-(4-methoxyphenyl)urea?
The InChIKey is OMLOKUUYXXMXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-12-18(13-7-5-2)16(19)17-14-8-10-15(20-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,17,19).
What are the key properties of 1,1-dibutyl-3-(4-methoxyphenyl)urea?
1,1-dibutyl-3-(4-methoxyphenyl)urea has a molecular weight of 278.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 3559325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).