acetaldehyde;N-methylacetamide;pentadecane

C20H43NO2 — CID 90894756

IUPACacetaldehyde;N-methylacetamide;pentadecane
SMILESCC=O.CCCCCCCCCCCCCCC.CNC(C)=O
InChIInChI=1S/C15H32.C3H7NO.C2H4O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-2-3/h3-15H2,1-2H3;1-2H3,(H,4,5);2H,1H3
InChIKeyYKFNDMOLHUIVCO-UHFFFAOYSA-N
MW329.57 g/mol
LogP6.05
Rot. Bonds12

About acetaldehyde;N-methylacetamide;pentadecane

acetaldehyde;N-methylacetamide;pentadecane (PubChem CID 90894756) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is acetaldehyde;N-methylacetamide;pentadecane.

Molecular Properties

Compound Nameacetaldehyde;N-methylacetamide;pentadecane
PubChem CID90894756
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Nameacetaldehyde;N-methylacetamide;pentadecane
SMILESCC=O.CCCCCCCCCCCCCCC.CNC(C)=O
InChIInChI=1S/C15H32.C3H7NO.C2H4O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-2-3/h3-15H2,1-2H3;1-2H3,(H,4,5);2H,1H3
InChIKeyYKFNDMOLHUIVCO-UHFFFAOYSA-N
XLogP6.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.05
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

acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane
CID 158473200
acetaldehyde;undecan-2-one
CID 87112507
N-methylundecanamide
CID 23297450
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
ethane;N-methyltetradecanamide
CID 153349961
acetic acid;nonane
CID 174272180
acetic acid;decane
CID 172853582
N-acetylundecanamide
CID 18949728
ethane;N-methylformamide;octane
CID 164590964
N,2-dimethylundec-2-enamide
CID 4562078
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-methylacetamide;pentadecane?
The IUPAC name of acetaldehyde;N-methylacetamide;pentadecane (CID 90894756) is acetaldehyde;N-methylacetamide;pentadecane.
What is the SMILES notation for acetaldehyde;N-methylacetamide;pentadecane?
The canonical SMILES for acetaldehyde;N-methylacetamide;pentadecane is CC=O.CCCCCCCCCCCCCCC.CNC(C)=O.
What is the InChIKey of acetaldehyde;N-methylacetamide;pentadecane?
The InChIKey is YKFNDMOLHUIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C3H7NO.C2H4O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-2-3/h3-15H2,1-2H3;1-2H3,(H,4,5);2H,1H3.
What are the key properties of acetaldehyde;N-methylacetamide;pentadecane?
acetaldehyde;N-methylacetamide;pentadecane has a molecular weight of 329.57 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-methylacetamide;pentadecane is sourced from PubChem (CID 90894756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).