4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide

C17H32N2O2 — CID 123584868

IUPAC4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide
SMILESCCCC(=O)NC(CC)C(C)(C)CC(=O)NCC1CCC1
InChIInChI=1S/C17H32N2O2/c1-5-8-15(20)19-14(6-2)17(3,4)11-16(21)18-12-13-9-7-10-13/h13-14H,5-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJBZVAAFDCLYGGF-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.01
Rot. Bonds9

About 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide

4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide (PubChem CID 123584868) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide
PubChem CID123584868
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide
SMILESCCCC(=O)NC(CC)C(C)(C)CC(=O)NCC1CCC1
InChIInChI=1S/C17H32N2O2/c1-5-8-15(20)19-14(6-2)17(3,4)11-16(21)18-12-13-9-7-10-13/h13-14H,5-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJBZVAAFDCLYGGF-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide?
The IUPAC name of 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide (CID 123584868) is 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide.
What is the SMILES notation for 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide?
The canonical SMILES for 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide is CCCC(=O)NC(CC)C(C)(C)CC(=O)NCC1CCC1.
What is the InChIKey of 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide?
The InChIKey is JBZVAAFDCLYGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-8-15(20)19-14(6-2)17(3,4)11-16(21)18-12-13-9-7-10-13/h13-14H,5-12H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide?
4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide has a molecular weight of 296.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide is sourced from PubChem (CID 123584868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).