ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate

C15H35N3O5 — CID 160945585

IUPACethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate
SMILESCC.CC=NOC.CNC(C)=O.COC(C)=O.CON=C(C)C
InChIInChI=1S/C4H9NO.2C3H7NO.C3H6O2.C2H6/c1-4(2)5-6-3;1-3-4-5-2;1-3(5)4-2;1-3(4)5-2;1-2/h1-3H3;3H,1-2H3;1-2H3,(H,4,5);1-2H3;1-2H3
InChIKeySVBGUFNODOGNRS-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.62
Rot. Bonds2

About ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate

ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate (PubChem CID 160945585) has the molecular formula C15H35N3O5 and a molecular weight of 337.46 g/mol. Its IUPAC name is ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate.

Molecular Properties

Compound Nameethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate
PubChem CID160945585
Molecular FormulaC15H35N3O5
Molecular Weight337.46 g/mol
Exact Mass337.26
IUPAC Nameethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate
SMILESCC.CC=NOC.CNC(C)=O.COC(C)=O.CON=C(C)C
InChIInChI=1S/C4H9NO.2C3H7NO.C3H6O2.C2H6/c1-4(2)5-6-3;1-3-4-5-2;1-3(5)4-2;1-3(4)5-2;1-2/h1-3H3;3H,1-2H3;1-2H3,(H,4,5);1-2H3;1-2H3
InChIKeySVBGUFNODOGNRS-UHFFFAOYSA-N
XLogP2.62
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
CID 158424207
ethane;methane;N-methylacetamide
CID 159401147
methyl acetate;ruthenium
CID 160799101
acetaldehyde;methane;methyl acetate
CID 157361598
acetaldehyde;azidomethane;ethane;N-methylacetamide;methyl acetate;pentadecane
CID 158473200
(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
CID 172959290
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
methane;N-methylacetamide
CID 169425645
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate?
The IUPAC name of ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate (CID 160945585) is ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate.
What is the SMILES notation for ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate?
The canonical SMILES for ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate is CC.CC=NOC.CNC(C)=O.COC(C)=O.CON=C(C)C.
What is the InChIKey of ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate?
The InChIKey is SVBGUFNODOGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2C3H7NO.C3H6O2.C2H6/c1-4(2)5-6-3;1-3-4-5-2;1-3(5)4-2;1-3(4)5-2;1-2/h1-3H3;3H,1-2H3;1-2H3,(H,4,5);1-2H3;1-2H3.
What are the key properties of ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate?
ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate has a molecular weight of 337.46 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate is sourced from PubChem (CID 160945585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).