1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea

C15H32N2O — CID 18735439

IUPAC1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea
SMILESCCCCN(CCC(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C15H32N2O/c1-7-10-12-17(13-11-15(4,5)6)14(18)16(8-2)9-3/h7-13H2,1-6H3
InChIKeyIBQCXKXQLXXNQQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.99
Rot. Bonds7

About 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea

1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea (PubChem CID 18735439) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea.

Molecular Properties

Compound Name1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea
PubChem CID18735439
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea
SMILESCCCCN(CCC(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C15H32N2O/c1-7-10-12-17(13-11-15(4,5)6)14(18)16(8-2)9-3/h7-13H2,1-6H3
InChIKeyIBQCXKXQLXXNQQ-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea?
The IUPAC name of 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea (CID 18735439) is 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea.
What is the SMILES notation for 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea?
The canonical SMILES for 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea is CCCCN(CCC(C)(C)C)C(=O)N(CC)CC.
What is the InChIKey of 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea?
The InChIKey is IBQCXKXQLXXNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-10-12-17(13-11-15(4,5)6)14(18)16(8-2)9-3/h7-13H2,1-6H3.
What are the key properties of 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea?
1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea has a molecular weight of 256.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea is sourced from PubChem (CID 18735439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).