5-acetamido-N-butylpentanamide

C11H22N2O2 — CID 123729472

IUPAC5-acetamido-N-butylpentanamide
SMILESCCCCNC(=O)CCCCNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-3-4-8-13-11(15)7-5-6-9-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyOMBJFYYFOAAYGQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds8

About 5-acetamido-N-butylpentanamide

5-acetamido-N-butylpentanamide (PubChem CID 123729472) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-acetamido-N-butylpentanamide.

Molecular Properties

Compound Name5-acetamido-N-butylpentanamide
PubChem CID123729472
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-acetamido-N-butylpentanamide
SMILESCCCCNC(=O)CCCCNC(C)=O
InChIInChI=1S/C11H22N2O2/c1-3-4-8-13-11(15)7-5-6-9-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyOMBJFYYFOAAYGQ-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
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

6-acetamido-N-propylhexanamide
CID 60654879
N-(4-acetamidobutyl)butanamide
CID 110417477
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
5-acetamido-N-ethylpentanamide
CID 145189248
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-nonyltridecanamide
CID 154228217
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-butylpentanamide?
The IUPAC name of 5-acetamido-N-butylpentanamide (CID 123729472) is 5-acetamido-N-butylpentanamide.
What is the SMILES notation for 5-acetamido-N-butylpentanamide?
The canonical SMILES for 5-acetamido-N-butylpentanamide is CCCCNC(=O)CCCCNC(C)=O.
What is the InChIKey of 5-acetamido-N-butylpentanamide?
The InChIKey is OMBJFYYFOAAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-8-13-11(15)7-5-6-9-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 5-acetamido-N-butylpentanamide?
5-acetamido-N-butylpentanamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-butylpentanamide is sourced from PubChem (CID 123729472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).