N-acetylundecanamide

C13H25NO2 — CID 18949728

IUPACN-acetylundecanamide
SMILESCCCCCCCCCCC(=O)NC(C)=O
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-10-11-13(16)14-12(2)15/h3-11H2,1-2H3,(H,14,15,16)
InChIKeyQMERDVPTCYDEQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.18
Rot. Bonds9

About N-acetylundecanamide

N-acetylundecanamide (PubChem CID 18949728) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-acetylundecanamide.

Molecular Properties

Compound NameN-acetylundecanamide
PubChem CID18949728
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-acetylundecanamide
SMILESCCCCCCCCCCC(=O)NC(C)=O
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-10-11-13(16)14-12(2)15/h3-11H2,1-2H3,(H,14,15,16)
InChIKeyQMERDVPTCYDEQH-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
N-prop-1-en-2-ylheptanamide
CID 89354267
N-(acetylcarbamoyl)pentanamide
CID 57354637
N-carbamoyloctanamide
CID 24740663
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
N-(2-methylpropanoyl)heptanamide
CID 150179955
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
2-(heptanoylamino)but-2-enoic acid
CID 54363986
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560
N-methylundecanamide
CID 23297450
N-methylheptacosanamide
CID 18175889

Frequently Asked Questions

What is the IUPAC name of N-acetylundecanamide?
The IUPAC name of N-acetylundecanamide (CID 18949728) is N-acetylundecanamide.
What is the SMILES notation for N-acetylundecanamide?
The canonical SMILES for N-acetylundecanamide is CCCCCCCCCCC(=O)NC(C)=O.
What is the InChIKey of N-acetylundecanamide?
The InChIKey is QMERDVPTCYDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-10-11-13(16)14-12(2)15/h3-11H2,1-2H3,(H,14,15,16).
What are the key properties of N-acetylundecanamide?
N-acetylundecanamide has a molecular weight of 227.35 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylundecanamide is sourced from PubChem (CID 18949728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).