N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide

C17H34N2O2 — CID 87551370

IUPACN-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide
SMILESCCCC(=O)NCCC(C)CC(C)(C)CNC(=O)CCC
InChIInChI=1S/C17H34N2O2/c1-6-8-15(20)18-11-10-14(3)12-17(4,5)13-19-16(21)9-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyCWNFSIRTPFZEGF-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.26
Rot. Bonds11

About N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide

N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide (PubChem CID 87551370) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide
PubChem CID87551370
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide
SMILESCCCC(=O)NCCC(C)CC(C)(C)CNC(=O)CCC
InChIInChI=1S/C17H34N2O2/c1-6-8-15(20)18-11-10-14(3)12-17(4,5)13-19-16(21)9-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyCWNFSIRTPFZEGF-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide?
The IUPAC name of N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide (CID 87551370) is N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide.
What is the SMILES notation for N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide?
The canonical SMILES for N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide is CCCC(=O)NCCC(C)CC(C)(C)CNC(=O)CCC.
What is the InChIKey of N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide?
The InChIKey is CWNFSIRTPFZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-8-15(20)18-11-10-14(3)12-17(4,5)13-19-16(21)9-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide?
N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide is sourced from PubChem (CID 87551370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).