N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide

C16H32N2O2 — CID 57034940

IUPACN-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide
SMILESCCCCC(=O)NC(CC)CCCNC(=O)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-5-7-10-15(19)18-14(6-2)9-8-11-17-16(20)12-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUTVLGAPCVHZADG-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.01
Rot. Bonds11

About N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide

N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide (PubChem CID 57034940) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide
PubChem CID57034940
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide
SMILESCCCCC(=O)NC(CC)CCCNC(=O)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-5-7-10-15(19)18-14(6-2)9-8-11-17-16(20)12-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyUTVLGAPCVHZADG-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide?
The IUPAC name of N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide (CID 57034940) is N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide.
What is the SMILES notation for N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide?
The canonical SMILES for N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide is CCCCC(=O)NC(CC)CCCNC(=O)CC(C)C.
What is the InChIKey of N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide?
The InChIKey is UTVLGAPCVHZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-7-10-15(19)18-14(6-2)9-8-11-17-16(20)12-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide?
N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide has a molecular weight of 284.44 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutanoylamino)hexan-3-yl]pentanamide is sourced from PubChem (CID 57034940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).