13-acetamido-8-oxotridecanamide

C15H28N2O3 — CID 158027008

IUPAC13-acetamido-8-oxotridecanamide
SMILESCC(=O)NCCCCCC(=O)CCCCCCC(N)=O
InChIInChI=1S/C15H28N2O3/c1-13(18)17-12-8-4-6-10-14(19)9-5-2-3-7-11-15(16)20/h2-12H2,1H3,(H2,16,20)(H,17,18)
InChIKeyWBFXKKXKUYEHQM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.08
Rot. Bonds13

About 13-acetamido-8-oxotridecanamide

13-acetamido-8-oxotridecanamide (PubChem CID 158027008) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 13-acetamido-8-oxotridecanamide.

Molecular Properties

Compound Name13-acetamido-8-oxotridecanamide
PubChem CID158027008
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name13-acetamido-8-oxotridecanamide
SMILESCC(=O)NCCCCCC(=O)CCCCCCC(N)=O
InChIInChI=1S/C15H28N2O3/c1-13(18)17-12-8-4-6-10-14(19)9-5-2-3-7-11-15(16)20/h2-12H2,1H3,(H2,16,20)(H,17,18)
InChIKeyWBFXKKXKUYEHQM-UHFFFAOYSA-N
XLogP2.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(10-oxododecyl)acetamide
CID 164677162
N-(4-oxotetradecyl)acetamide
CID 164678896
N-(8-oxononyl)acetamide
CID 58114719
6-acetamidohexanoic acid;methane
CID 163527023
11-(propanoylamino)undecanamide
CID 89244012
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-(3-acetamidopropyl)acetamide
CID 5147555
tert-butyl N-[6-[[6-[[6-[[6-[[18-[(6-amino-6-oxohexyl)amino]-6,12,18-trioxooctadecyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 100969493
6-(octylcarbamoylamino)hexanamide
CID 11833003
N-hexylacetamide
CID 24129
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
9-[4-[[2-[4-[[2-[4-[[2-[4-(6-acetamidohexanoylamino)butyl]-4,11-dioxododecanoyl]amino]butyl]-4,11-dioxododecanoyl]amino]butyl]-4,11-dioxododecanoyl]amino]butyl]-8,11,18-trioxononadecanamide
CID 163924459

Frequently Asked Questions

What is the IUPAC name of 13-acetamido-8-oxotridecanamide?
The IUPAC name of 13-acetamido-8-oxotridecanamide (CID 158027008) is 13-acetamido-8-oxotridecanamide.
What is the SMILES notation for 13-acetamido-8-oxotridecanamide?
The canonical SMILES for 13-acetamido-8-oxotridecanamide is CC(=O)NCCCCCC(=O)CCCCCCC(N)=O.
What is the InChIKey of 13-acetamido-8-oxotridecanamide?
The InChIKey is WBFXKKXKUYEHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(18)17-12-8-4-6-10-14(19)9-5-2-3-7-11-15(16)20/h2-12H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 13-acetamido-8-oxotridecanamide?
13-acetamido-8-oxotridecanamide has a molecular weight of 284.40 g/mol, XLogP of 2.08, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetamido-8-oxotridecanamide is sourced from PubChem (CID 158027008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).