N-(3-oxopropyl)octanamide

C11H21NO2 — CID 163482929

IUPACN-(3-oxopropyl)octanamide
SMILESCCCCCCCC(=O)NCCC=O
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-6-8-11(14)12-9-7-10-13/h10H,2-9H2,1H3,(H,12,14)
InChIKeyCGCXZGYLSSQQFV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.05
Rot. Bonds9

About N-(3-oxopropyl)octanamide

N-(3-oxopropyl)octanamide (PubChem CID 163482929) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-oxopropyl)octanamide.

Molecular Properties

Compound NameN-(3-oxopropyl)octanamide
PubChem CID163482929
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-oxopropyl)octanamide
SMILESCCCCCCCC(=O)NCCC=O
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-6-8-11(14)12-9-7-10-13/h10H,2-9H2,1H3,(H,12,14)
InChIKeyCGCXZGYLSSQQFV-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-oxo-N-pentylhexanamide
CID 90124095
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)octanamide?
The IUPAC name of N-(3-oxopropyl)octanamide (CID 163482929) is N-(3-oxopropyl)octanamide.
What is the SMILES notation for N-(3-oxopropyl)octanamide?
The canonical SMILES for N-(3-oxopropyl)octanamide is CCCCCCCC(=O)NCCC=O.
What is the InChIKey of N-(3-oxopropyl)octanamide?
The InChIKey is CGCXZGYLSSQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-5-6-8-11(14)12-9-7-10-13/h10H,2-9H2,1H3,(H,12,14).
What are the key properties of N-(3-oxopropyl)octanamide?
N-(3-oxopropyl)octanamide has a molecular weight of 199.29 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)octanamide is sourced from PubChem (CID 163482929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).