2-butyl-N,N-dicarbamoylhexanamide

C12H23N3O3 — CID 24839231

IUPAC2-butyl-N,N-dicarbamoylhexanamide
SMILESCCCCC(CCCC)C(=O)N(C(N)=O)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-3-5-7-9(8-6-4-2)10(16)15(11(13)17)12(14)18/h9H,3-8H2,1-2H3,(H2,13,17)(H2,14,18)
InChIKeyXRUWGRIPUFYZEU-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.97
Rot. Bonds7

About 2-butyl-N,N-dicarbamoylhexanamide

2-butyl-N,N-dicarbamoylhexanamide (PubChem CID 24839231) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-butyl-N,N-dicarbamoylhexanamide.

Molecular Properties

Compound Name2-butyl-N,N-dicarbamoylhexanamide
PubChem CID24839231
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-butyl-N,N-dicarbamoylhexanamide
SMILESCCCCC(CCCC)C(=O)N(C(N)=O)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-3-5-7-9(8-6-4-2)10(16)15(11(13)17)12(14)18/h9H,3-8H2,1-2H3,(H2,13,17)(H2,14,18)
InChIKeyXRUWGRIPUFYZEU-UHFFFAOYSA-N
XLogP1.97
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141080467
2-propylhexanamide
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2-butyltetradecanamide
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2-butyldodecanamide
CID 88685822
2-ethyl-N,N-dimethylhexanamide
CID 3019000
lithium;2-ethylhexanamide;hydride
CID 173043498
2-hexyloctanamide
CID 87302701
2-dodecylnonadecanamide
CID 175503182
2-octyldecanamide
CID 19104479
N,N-diethyl-2-octyldodecanamide
CID 54517458
4-butyl-2-methyloctan-3-one
CID 171426152
CID 87702087
CID 87702087

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-dicarbamoylhexanamide?
The IUPAC name of 2-butyl-N,N-dicarbamoylhexanamide (CID 24839231) is 2-butyl-N,N-dicarbamoylhexanamide.
What is the SMILES notation for 2-butyl-N,N-dicarbamoylhexanamide?
The canonical SMILES for 2-butyl-N,N-dicarbamoylhexanamide is CCCCC(CCCC)C(=O)N(C(N)=O)C(N)=O.
What is the InChIKey of 2-butyl-N,N-dicarbamoylhexanamide?
The InChIKey is XRUWGRIPUFYZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-5-7-9(8-6-4-2)10(16)15(11(13)17)12(14)18/h9H,3-8H2,1-2H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-butyl-N,N-dicarbamoylhexanamide?
2-butyl-N,N-dicarbamoylhexanamide has a molecular weight of 257.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-dicarbamoylhexanamide is sourced from PubChem (CID 24839231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).