N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide

C24H33NO3 — CID 17094817

IUPACN-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1
InChIInChI=1S/C24H33NO3/c1-4-5-6-9-16-27-21-12-10-11-20(18-21)25-24(26)22-13-7-8-14-23(22)28-17-15-19(2)3/h7-8,10-14,18-19H,4-6,9,15-17H2,1-3H3,(H,25,26)
InChIKeyZIAKYQUEXRKELI-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.32
Rot. Bonds12

About N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide

N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide (PubChem CID 17094817) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
PubChem CID17094817
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1
InChIInChI=1S/C24H33NO3/c1-4-5-6-9-16-27-21-12-10-11-20(18-21)25-24(26)22-13-7-8-14-23(22)28-17-15-19(2)3/h7-8,10-14,18-19H,4-6,9,15-17H2,1-3H3,(H,25,26)
InChIKeyZIAKYQUEXRKELI-UHFFFAOYSA-N
XLogP6.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.32
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

2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
N-[(4-heptoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4951664

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide (CID 17094817) is N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide is CCCCCCOc1cccc(NC(=O)c2ccccc2OCCC(C)C)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide?
The InChIKey is ZIAKYQUEXRKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-5-6-9-16-27-21-12-10-11-20(18-21)25-24(26)22-13-7-8-14-23(22)28-17-15-19(2)3/h7-8,10-14,18-19H,4-6,9,15-17H2,1-3H3,(H,25,26).
What are the key properties of N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide?
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide has a molecular weight of 383.53 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17094817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).