N-butan-2-ylnonanamide

C13H27NO — CID 4188803

IUPACN-butan-2-ylnonanamide
SMILESCCCCCCCCC(=O)NC(C)CC
InChIInChI=1S/C13H27NO/c1-4-6-7-8-9-10-11-13(15)14-12(3)5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyFLQUXICPKRDSNW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.65
Rot. Bonds9

About N-butan-2-ylnonanamide

N-butan-2-ylnonanamide (PubChem CID 4188803) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butan-2-ylnonanamide.

Molecular Properties

Compound NameN-butan-2-ylnonanamide
PubChem CID4188803
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butan-2-ylnonanamide
SMILESCCCCCCCCC(=O)NC(C)CC
InChIInChI=1S/C13H27NO/c1-4-6-7-8-9-10-11-13(15)14-12(3)5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyFLQUXICPKRDSNW-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butan-2-ylnonanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butan-2-ylhexacosanamide
CID 163047877
N-pentan-2-ylundecanamide
CID 173258559
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
3-(heptanoylamino)butanoic acid
CID 43360958
N-pentan-3-yldocosanamide
CID 123339332
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylnonanamide?
The IUPAC name of N-butan-2-ylnonanamide (CID 4188803) is N-butan-2-ylnonanamide.
What is the SMILES notation for N-butan-2-ylnonanamide?
The canonical SMILES for N-butan-2-ylnonanamide is CCCCCCCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-ylnonanamide?
The InChIKey is FLQUXICPKRDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-7-8-9-10-11-13(15)14-12(3)5-2/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-butan-2-ylnonanamide?
N-butan-2-ylnonanamide has a molecular weight of 213.36 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylnonanamide is sourced from PubChem (CID 4188803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).