N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide

C14H21NO4 — CID 79676685

IUPACN-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
SMILESCOCCONC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C14H21NO4/c1-12-5-7-13(8-6-12)18-9-3-4-14(16)15-19-11-10-17-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyDQGKOEWODDUQJX-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.85
Rot. Bonds9

About N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide

N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide (PubChem CID 79676685) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
PubChem CID79676685
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
SMILESCOCCONC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C14H21NO4/c1-12-5-7-13(8-6-12)18-9-3-4-14(16)15-19-11-10-17-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16)
InChIKeyDQGKOEWODDUQJX-UHFFFAOYSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
N-cyano-4-(4-methylphenoxy)butanamide
CID 79195319
N-iodo-5-(4-methylphenoxy)pentanamide
CID 146332162
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
CID 89167610
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide (CID 79676685) is N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide is COCCONC(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide?
The InChIKey is DQGKOEWODDUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-12-5-7-13(8-6-12)18-9-3-4-14(16)15-19-11-10-17-2/h5-8H,3-4,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide?
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide has a molecular weight of 267.32 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 79676685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).