4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide

C21H28N2O3 — CID 9303955

IUPAC4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-5-6-13-26-19-12-9-17(14-20(19)25-4)21(24)22-15-16-7-10-18(11-8-16)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)
InChIKeyLJZGHIITBMZVBC-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.87
Rot. Bonds9

About 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide

4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (PubChem CID 9303955) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
PubChem CID9303955
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-5-6-13-26-19-12-9-17(14-20(19)25-4)21(24)22-15-16-7-10-18(11-8-16)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)
InChIKeyLJZGHIITBMZVBC-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (CID 9303955) is 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC.
What is the InChIKey of 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is LJZGHIITBMZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-6-13-26-19-12-9-17(14-20(19)25-4)21(24)22-15-16-7-10-18(11-8-16)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24).
What are the key properties of 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 9303955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).