1,1-dibutyl-3-(2-methylphenyl)urea

C16H26N2O — CID 4196308

IUPAC1,1-dibutyl-3-(2-methylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyJDPKNNMXLNFCSQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.43
Rot. Bonds7

About 1,1-dibutyl-3-(2-methylphenyl)urea

1,1-dibutyl-3-(2-methylphenyl)urea (PubChem CID 4196308) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,1-dibutyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(2-methylphenyl)urea
PubChem CID4196308
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,1-dibutyl-3-(2-methylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKeyJDPKNNMXLNFCSQ-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(2-methylphenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(2-methylphenyl)urea (CID 4196308) is 1,1-dibutyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(2-methylphenyl)urea is CCCCN(CCCC)C(=O)Nc1ccccc1C.
What is the InChIKey of 1,1-dibutyl-3-(2-methylphenyl)urea?
The InChIKey is JDPKNNMXLNFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19).
What are the key properties of 1,1-dibutyl-3-(2-methylphenyl)urea?
1,1-dibutyl-3-(2-methylphenyl)urea has a molecular weight of 262.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 4196308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).