4-acetamido-N-octan-2-ylbutanamide

C14H28N2O2 — CID 90319898

IUPAC4-acetamido-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)CCCNC(C)=O
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-9-12(2)16-14(18)10-8-11-15-13(3)17/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOWSJDIULXZTENS-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.38
Rot. Bonds10

About 4-acetamido-N-octan-2-ylbutanamide

4-acetamido-N-octan-2-ylbutanamide (PubChem CID 90319898) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-acetamido-N-octan-2-ylbutanamide.

Molecular Properties

Compound Name4-acetamido-N-octan-2-ylbutanamide
PubChem CID90319898
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-acetamido-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)CCCNC(C)=O
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-9-12(2)16-14(18)10-8-11-15-13(3)17/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOWSJDIULXZTENS-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.38
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

N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
N-pentan-2-ylundecanamide
CID 173258559
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-dodecan-2-ylpropanamide
CID 174988669
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452
2-(6-acetamidohexanoylamino)hexanoic acid
CID 43469673

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-octan-2-ylbutanamide?
The IUPAC name of 4-acetamido-N-octan-2-ylbutanamide (CID 90319898) is 4-acetamido-N-octan-2-ylbutanamide.
What is the SMILES notation for 4-acetamido-N-octan-2-ylbutanamide?
The canonical SMILES for 4-acetamido-N-octan-2-ylbutanamide is CCCCCCC(C)NC(=O)CCCNC(C)=O.
What is the InChIKey of 4-acetamido-N-octan-2-ylbutanamide?
The InChIKey is OWSJDIULXZTENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-7-9-12(2)16-14(18)10-8-11-15-13(3)17/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-acetamido-N-octan-2-ylbutanamide?
4-acetamido-N-octan-2-ylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-octan-2-ylbutanamide is sourced from PubChem (CID 90319898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).