3-butoxy-N-(4-heptoxyphenyl)benzamide

C24H33NO3 — CID 4956588

IUPAC3-butoxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2cccc(OCCCC)c2)cc1
InChIInChI=1S/C24H33NO3/c1-3-5-7-8-9-18-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(19-20)28-17-6-4-2/h10-16,19H,3-9,17-18H2,1-2H3,(H,25,26)
InChIKeyHMJJAZCEXZJZCW-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.47
Rot. Bonds13

About 3-butoxy-N-(4-heptoxyphenyl)benzamide

3-butoxy-N-(4-heptoxyphenyl)benzamide (PubChem CID 4956588) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 3-butoxy-N-(4-heptoxyphenyl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(4-heptoxyphenyl)benzamide
PubChem CID4956588
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name3-butoxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2cccc(OCCCC)c2)cc1
InChIInChI=1S/C24H33NO3/c1-3-5-7-8-9-18-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(19-20)28-17-6-4-2/h10-16,19H,3-9,17-18H2,1-2H3,(H,25,26)
InChIKeyHMJJAZCEXZJZCW-UHFFFAOYSA-N
XLogP6.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17194072
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(4-heptoxyphenyl)benzamide?
The IUPAC name of 3-butoxy-N-(4-heptoxyphenyl)benzamide (CID 4956588) is 3-butoxy-N-(4-heptoxyphenyl)benzamide.
What is the SMILES notation for 3-butoxy-N-(4-heptoxyphenyl)benzamide?
The canonical SMILES for 3-butoxy-N-(4-heptoxyphenyl)benzamide is CCCCCCCOc1ccc(NC(=O)c2cccc(OCCCC)c2)cc1.
What is the InChIKey of 3-butoxy-N-(4-heptoxyphenyl)benzamide?
The InChIKey is HMJJAZCEXZJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-3-5-7-8-9-18-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(19-20)28-17-6-4-2/h10-16,19H,3-9,17-18H2,1-2H3,(H,25,26).
What are the key properties of 3-butoxy-N-(4-heptoxyphenyl)benzamide?
3-butoxy-N-(4-heptoxyphenyl)benzamide has a molecular weight of 383.53 g/mol, XLogP of 6.47, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(4-heptoxyphenyl)benzamide is sourced from PubChem (CID 4956588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).