N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide

C15H26N2O4 — CID 54021759

IUPACN-acetyl-N,N'-dimethyl-N'-nonanoyloxamide
SMILESCCCCCCCCC(=O)N(C)C(=O)C(=O)N(C)C(C)=O
InChIInChI=1S/C15H26N2O4/c1-5-6-7-8-9-10-11-13(19)17(4)15(21)14(20)16(3)12(2)18/h5-11H2,1-4H3
InChIKeyKZKIBDLGURRUHJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.73
Rot. Bonds7

About N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide

N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide (PubChem CID 54021759) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide.

Molecular Properties

Compound NameN-acetyl-N,N'-dimethyl-N'-nonanoyloxamide
PubChem CID54021759
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-acetyl-N,N'-dimethyl-N'-nonanoyloxamide
SMILESCCCCCCCCC(=O)N(C)C(=O)C(=O)N(C)C(C)=O
InChIInChI=1S/C15H26N2O4/c1-5-6-7-8-9-10-11-13(19)17(4)15(21)14(20)16(3)12(2)18/h5-11H2,1-4H3
InChIKeyKZKIBDLGURRUHJ-UHFFFAOYSA-N
XLogP1.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54508567
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N-acetyl-N-methylbutanamide
CID 142271883
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N-ethoxy-N-hexadecanoylhexadecanamide
CID 175352963
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide?
The IUPAC name of N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide (CID 54021759) is N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide.
What is the SMILES notation for N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide?
The canonical SMILES for N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide is CCCCCCCCC(=O)N(C)C(=O)C(=O)N(C)C(C)=O.
What is the InChIKey of N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide?
The InChIKey is KZKIBDLGURRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-6-7-8-9-10-11-13(19)17(4)15(21)14(20)16(3)12(2)18/h5-11H2,1-4H3.
What are the key properties of N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide?
N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide has a molecular weight of 298.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N,N'-dimethyl-N'-nonanoyloxamide is sourced from PubChem (CID 54021759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).