1,1,3,3-tetrabutylurea

C17H36N2O — CID 20691

IUPAC1,1,3,3-tetrabutylurea
SMILESCCCCN(CCCC)C(=O)N(CCCC)CCCC
InChIInChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeySNDGLCYYBKJSOT-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.91
Rot. Bonds12

About 1,1,3,3-tetrabutylurea

1,1,3,3-tetrabutylurea (PubChem CID 20691) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,1,3,3-tetrabutylurea.

Molecular Properties

Compound Name1,1,3,3-tetrabutylurea
PubChem CID20691
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1,1,3,3-tetrabutylurea
SMILESCCCCN(CCCC)C(=O)N(CCCC)CCCC
InChIInChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeySNDGLCYYBKJSOT-UHFFFAOYSA-N
XLogP4.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetraethylurea
CID 14465
Urea, N,N-dibutyl-
CID 120300
1,3-Diethyl-1,3-diazepan-2-one
CID 12867750
N,N,N',N'-tetra-n-octylurea
CID 18695154
1,1-Diethyl-3,3-diheptylurea
CID 306065
N,N-diethylpyrrolidine-1-carboxamide
CID 4016254
Urea, N,N-dibutyl-N',N'-diethyl-
CID 12221467
N,N,N',N'-tetra-n-hexylurea
CID 22137880
N,N'-Dibutyl-N,N'-dimethylurea
CID 546287
N,N-Di-isopropyl-N'-isoamyl-N'-di-athyl-aminoathylharnstoff
CID 23616099
1,1,3-Trimethyl-3-(1-tributylstannylhexyl)urea
CID 85964782
1,1-Diethyl-3-methyl-3-(1-tributylstannylhexyl)urea
CID 85964784

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrabutylurea?
The IUPAC name of 1,1,3,3-tetrabutylurea (CID 20691) is 1,1,3,3-tetrabutylurea.
What is the SMILES notation for 1,1,3,3-tetrabutylurea?
The canonical SMILES for 1,1,3,3-tetrabutylurea is CCCCN(CCCC)C(=O)N(CCCC)CCCC.
What is the InChIKey of 1,1,3,3-tetrabutylurea?
The InChIKey is SNDGLCYYBKJSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of 1,1,3,3-tetrabutylurea?
1,1,3,3-tetrabutylurea has a molecular weight of 284.49 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrabutylurea is sourced from PubChem (CID 20691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).