N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide

C20H25NO4 — CID 9103080

IUPACN-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO4/c1-4-24-18-12-9-16(14-19(18)23-3)21-20(22)6-5-13-25-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyRBITULNYCVXAOI-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.20
Rot. Bonds9

About N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide

N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide (PubChem CID 9103080) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
PubChem CID9103080
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO4/c1-4-24-18-12-9-16(14-19(18)23-3)21-20(22)6-5-13-25-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyRBITULNYCVXAOI-UHFFFAOYSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide (CID 9103080) is N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide is CCOc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is RBITULNYCVXAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-24-18-12-9-16(14-19(18)23-3)21-20(22)6-5-13-25-17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3,(H,21,22).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide?
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 343.42 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 9103080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).