2,4-diethoxy-N-(4-heptoxyphenyl)benzamide

C24H33NO4 — CID 17340675

IUPAC2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(OCC)cc2OCC)cc1
InChIInChI=1S/C24H33NO4/c1-4-7-8-9-10-17-29-20-13-11-19(12-14-20)25-24(26)22-16-15-21(27-5-2)18-23(22)28-6-3/h11-16,18H,4-10,17H2,1-3H3,(H,25,26)
InChIKeyDJCQQCWKIMAPAO-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.09
Rot. Bonds13

About 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide

2,4-diethoxy-N-(4-heptoxyphenyl)benzamide (PubChem CID 17340675) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
PubChem CID17340675
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(OCC)cc2OCC)cc1
InChIInChI=1S/C24H33NO4/c1-4-7-8-9-10-17-29-20-13-11-19(12-14-20)25-24(26)22-16-15-21(27-5-2)18-23(22)28-6-3/h11-16,18H,4-10,17H2,1-3H3,(H,25,26)
InChIKeyDJCQQCWKIMAPAO-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
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

2,4-diethoxy-N-(4-hexoxyphenyl)benzamide
CID 17340669
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
N-(2-butoxyphenyl)-2,4-diethoxybenzamide
CID 17087110
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide?
The IUPAC name of 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide (CID 17340675) is 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide.
What is the SMILES notation for 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide?
The canonical SMILES for 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide is CCCCCCCOc1ccc(NC(=O)c2ccc(OCC)cc2OCC)cc1.
What is the InChIKey of 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide?
The InChIKey is DJCQQCWKIMAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-4-7-8-9-10-17-29-20-13-11-19(12-14-20)25-24(26)22-16-15-21(27-5-2)18-23(22)28-6-3/h11-16,18H,4-10,17H2,1-3H3,(H,25,26).
What are the key properties of 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide?
2,4-diethoxy-N-(4-heptoxyphenyl)benzamide has a molecular weight of 399.53 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-(4-heptoxyphenyl)benzamide is sourced from PubChem (CID 17340675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).