ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane

C16H27NO3 — CID 155692872

IUPACethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane
SMILESCC.CCC(=O)Nc1c(C)cccc1C=O.CCOC
InChIInChI=1S/C11H13NO2.C3H8O.C2H6/c1-3-10(14)12-11-8(2)5-4-6-9(11)7-13;1-3-4-2;1-2/h4-7H,3H2,1-2H3,(H,12,14);3H2,1-2H3;1-2H3
InChIKeyNIYCXWXQPNWFMK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds4

About ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane

ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane (PubChem CID 155692872) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane.

Molecular Properties

Compound Nameethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane
PubChem CID155692872
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane
SMILESCC.CCC(=O)Nc1c(C)cccc1C=O.CCOC
InChIInChI=1S/C11H13NO2.C3H8O.C2H6/c1-3-10(14)12-11-8(2)5-4-6-9(11)7-13;1-3-4-2;1-2/h4-7H,3H2,1-2H3,(H,12,14);3H2,1-2H3;1-2H3
InChIKeyNIYCXWXQPNWFMK-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-formyl-6-methylphenyl)carbamate
CID 123554285
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
CID 13350316
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 119803874
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
CID 89442401
CID 89442401
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
methyl 3-(2-acetamido-3-methylphenyl)prop-2-enoate
CID 57041202
N-(2,6-dibromophenyl)propanamide
CID 103863189

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane?
The IUPAC name of ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane (CID 155692872) is ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane.
What is the SMILES notation for ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane?
The canonical SMILES for ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane is CC.CCC(=O)Nc1c(C)cccc1C=O.CCOC.
What is the InChIKey of ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane?
The InChIKey is NIYCXWXQPNWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C3H8O.C2H6/c1-3-10(14)12-11-8(2)5-4-6-9(11)7-13;1-3-4-2;1-2/h4-7H,3H2,1-2H3,(H,12,14);3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane?
ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane has a molecular weight of 281.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane is sourced from PubChem (CID 155692872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).