acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane

C26H58N4O4 — CID 158473200

IUPACacetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane
SMILESCC.CC=O.CCCCCCCCCCCCCCC.CN=[N+]=[N-].CNC(C)=O.COC(C)=O
InChIInChI=1S/C15H32.C3H7NO.C3H6O2.C2H4O.C2H6.CH3N3/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-3(4)5-2;1-2-3;1-2;1-3-4-2/h3-15H2,1-2H3;1-2H3,(H,4,5);1-2H3;2H,1H3;1-2H3;1H3
InChIKeyHGPHNDKCCRQSLV-UHFFFAOYSA-N
MW490.77 g/mol
LogP8.19
Rot. Bonds12

About acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane

acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane (PubChem CID 158473200) has the molecular formula C26H58N4O4 and a molecular weight of 490.77 g/mol. Its IUPAC name is acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane.

Molecular Properties

Compound Nameacetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane
PubChem CID158473200
Molecular FormulaC26H58N4O4
Molecular Weight490.77 g/mol
Exact Mass490.45
IUPAC Nameacetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane
SMILESCC.CC=O.CCCCCCCCCCCCCCC.CN=[N+]=[N-].CNC(C)=O.COC(C)=O
InChIInChI=1S/C15H32.C3H7NO.C3H6O2.C2H4O.C2H6.CH3N3/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-3(4)5-2;1-2-3;1-2;1-3-4-2/h3-15H2,1-2H3;1-2H3,(H,4,5);1-2H3;2H,1H3;1-2H3;1H3
InChIKeyHGPHNDKCCRQSLV-UHFFFAOYSA-N
XLogP8.19
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;N-methylacetamide;pentadecane
CID 90894756
acetaldehyde;methane;methyl acetate
CID 157361598
methyl acetate;nonanoic acid
CID 159360053
ethane;N-methyltetradecanamide
CID 153349961
acetaldehyde;undecan-2-one
CID 87112507
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
hexanoic acid;methyl acetate
CID 174922852
methyl 2-azidohexanoate
CID 22742063
ethaneperoxoic acid;octane
CID 87879495
ethane;N-methylformamide;octane
CID 164590964
N-methylnonadecanamide
CID 2724821
N-methylheptacosanamide
CID 18175889

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane?
The IUPAC name of acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane (CID 158473200) is acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane.
What is the SMILES notation for acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane?
The canonical SMILES for acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane is CC.CC=O.CCCCCCCCCCCCCCC.CN=[N+]=[N-].CNC(C)=O.COC(C)=O.
What is the InChIKey of acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane?
The InChIKey is HGPHNDKCCRQSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C3H7NO.C3H6O2.C2H4O.C2H6.CH3N3/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3(5)4-2;1-3(4)5-2;1-2-3;1-2;1-3-4-2/h3-15H2,1-2H3;1-2H3,(H,4,5);1-2H3;2H,1H3;1-2H3;1H3.
What are the key properties of acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane?
acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane has a molecular weight of 490.77 g/mol, XLogP of 8.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane is sourced from PubChem (CID 158473200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).