N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide

C14H21NO2 — CID 134579947

IUPACN-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
SMILESCNC(=O)COCCCCc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-12-6-8-13(9-7-12)5-3-4-10-17-11-14(16)15-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyOVXIZJXYYVTJNL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds7

About N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide

N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide (PubChem CID 134579947) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
PubChem CID134579947
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
SMILESCNC(=O)COCCCCc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-12-6-8-13(9-7-12)5-3-4-10-17-11-14(16)15-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyOVXIZJXYYVTJNL-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.08
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

N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
CID 134579946
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
1-(methylamino)-3-[3-(4-methylphenyl)propoxy]propan-2-one
CID 171071287
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
CID 159463012
2-[3-[2-[4-[[1-hydroxy-7-(4-methylphenyl)heptyl]amino]phenoxy]ethoxy]propoxy]-N-methylacetamide
CID 167241916
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
tert-butyl 2-[5-[4-(4-methylphenoxy)phenyl]pentoxy]acetate
CID 139655729
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide?
The IUPAC name of N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide (CID 134579947) is N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide is CNC(=O)COCCCCc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide?
The InChIKey is OVXIZJXYYVTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-6-8-13(9-7-12)5-3-4-10-17-11-14(16)15-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide?
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide is sourced from PubChem (CID 134579947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).