ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide

C14H23NO2 — CID 178149105

IUPACethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
SMILESCC.COCCNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2.C2H6/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3;1-2/h4-5,8H,6-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyPPJMAKOYENDKFX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.71
Rot. Bonds4

About ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide

ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide (PubChem CID 178149105) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
PubChem CID178149105
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
SMILESCC.COCCNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2.C2H6/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3;1-2/h4-5,8H,6-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyPPJMAKOYENDKFX-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The IUPAC name of ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide (CID 178149105) is ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The canonical SMILES for ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide is CC.COCCNC(=O)c1ccc(C)cc1C.
What is the InChIKey of ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide?
The InChIKey is PPJMAKOYENDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-9-4-5-11(10(2)8-9)12(14)13-6-7-15-3;1-2/h4-5,8H,6-7H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide?
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide has a molecular weight of 237.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 178149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).