4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide

C24H33NO4 — CID 54776997

IUPAC4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C24H33NO4/c1-4-6-7-8-16-28-21-12-10-20(11-13-21)24(26)25-18-19-9-14-22(29-15-5-2)23(17-19)27-3/h9-14,17H,4-8,15-16,18H2,1-3H3,(H,25,26)
InChIKeyPIEFPHAMNROKRM-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.37
Rot. Bonds13

About 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide

4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide (PubChem CID 54776997) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
PubChem CID54776997
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C24H33NO4/c1-4-6-7-8-16-28-21-12-10-20(11-13-21)24(26)25-18-19-9-14-22(29-15-5-2)23(17-19)27-3/h9-14,17H,4-8,15-16,18H2,1-3H3,(H,25,26)
InChIKeyPIEFPHAMNROKRM-UHFFFAOYSA-N
XLogP5.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.37
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-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]benzamide
CID 54777257
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide
CID 19015279
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
4-ethoxy-N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55632481
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
4-butoxy-N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55843425
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxybenzamide
CID 19015126

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide?
The IUPAC name of 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide (CID 54776997) is 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide is CCCCCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1.
What is the InChIKey of 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide?
The InChIKey is PIEFPHAMNROKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-4-6-7-8-16-28-21-12-10-20(11-13-21)24(26)25-18-19-9-14-22(29-15-5-2)23(17-19)27-3/h9-14,17H,4-8,15-16,18H2,1-3H3,(H,25,26).
What are the key properties of 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide?
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide has a molecular weight of 399.53 g/mol, XLogP of 5.37, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide is sourced from PubChem (CID 54776997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).