1,1-dibutyl-3-tert-butylurea

C13H28N2O — CID 11413547

IUPAC1,1-dibutyl-3-tert-butylurea
SMILESCCCCN(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-8-10-15(11-9-7-2)12(16)14-13(3,4)5/h6-11H2,1-5H3,(H,14,16)
InChIKeyBKWWAOIZZNBSQM-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.40
Rot. Bonds6

About 1,1-dibutyl-3-tert-butylurea

1,1-dibutyl-3-tert-butylurea (PubChem CID 11413547) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,1-dibutyl-3-tert-butylurea.

Molecular Properties

Compound Name1,1-dibutyl-3-tert-butylurea
PubChem CID11413547
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,1-dibutyl-3-tert-butylurea
SMILESCCCCN(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-8-10-15(11-9-7-2)12(16)14-13(3,4)5/h6-11H2,1-5H3,(H,14,16)
InChIKeyBKWWAOIZZNBSQM-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65266173
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
CID 177477585
CID 177477585
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61447381
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
N-butyl-N-ethylpentanamide
CID 4629847
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
3-methyl-1-pentyl-1-propylurea
CID 134269758
methyl 2-[[tert-butylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766914
N-butyl-N-[4-(tert-butylamino)butyl]butanamide
CID 89364805
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-tert-butylurea?
The IUPAC name of 1,1-dibutyl-3-tert-butylurea (CID 11413547) is 1,1-dibutyl-3-tert-butylurea.
What is the SMILES notation for 1,1-dibutyl-3-tert-butylurea?
The canonical SMILES for 1,1-dibutyl-3-tert-butylurea is CCCCN(CCCC)C(=O)NC(C)(C)C.
What is the InChIKey of 1,1-dibutyl-3-tert-butylurea?
The InChIKey is BKWWAOIZZNBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-8-10-15(11-9-7-2)12(16)14-13(3,4)5/h6-11H2,1-5H3,(H,14,16).
What are the key properties of 1,1-dibutyl-3-tert-butylurea?
1,1-dibutyl-3-tert-butylurea has a molecular weight of 228.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-tert-butylurea is sourced from PubChem (CID 11413547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).