3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide

C16H32N2O2 — CID 3609868

IUPAC3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
SMILESCC(C)CC(=O)NCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)11-15(19)17-9-7-5-6-8-10-18-16(20)12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJJTWXNNNFBTECD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds11

About 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide (PubChem CID 3609868) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
PubChem CID3609868
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
SMILESCC(C)CC(=O)NCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)11-15(19)17-9-7-5-6-8-10-18-16(20)12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJJTWXNNNFBTECD-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
3-methyl-N-(4-oxobutyl)butanamide;yttrium
CID 140577553
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
CID 168958672
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
CID 154642812
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide?
The IUPAC name of 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide (CID 3609868) is 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide is CC(C)CC(=O)NCCCCCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide?
The InChIKey is JJTWXNNNFBTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)11-15(19)17-9-7-5-6-8-10-18-16(20)12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide?
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide is sourced from PubChem (CID 3609868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).