4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide

C20H25NO4 — CID 27228846

IUPAC4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H25NO4/c1-4-6-13-25-18-12-7-15(14-19(18)24-5-2)20(22)21-16-8-10-17(23-3)11-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyFYTOMACTJGCEFY-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.53
Rot. Bonds9

About 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide

4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide (PubChem CID 27228846) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
PubChem CID27228846
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H25NO4/c1-4-6-13-25-18-12-7-15(14-19(18)24-5-2)20(22)21-16-8-10-17(23-3)11-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyFYTOMACTJGCEFY-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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

4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
CID 30272395
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide (CID 27228846) is 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is FYTOMACTJGCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-6-13-25-18-12-7-15(14-19(18)24-5-2)20(22)21-16-8-10-17(23-3)11-9-16/h7-12,14H,4-6,13H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide?
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 27228846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).