2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide

C26H29NO3 — CID 17086084

IUPAC2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H29NO3/c1-2-3-4-10-18-29-25-17-9-8-16-24(25)26(28)27-22-14-11-15-23(19-22)30-20-21-12-6-5-7-13-21/h5-9,11-17,19H,2-4,10,18,20H2,1H3,(H,27,28)
InChIKeyDMUWTGVCVYTUSC-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.48
Rot. Bonds11

About 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide

2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 17086084) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID17086084
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H29NO3/c1-2-3-4-10-18-29-25-17-9-8-16-24(25)26(28)27-22-14-11-15-23(19-22)30-20-21-12-6-5-7-13-21/h5-9,11-17,19H,2-4,10,18,20H2,1H3,(H,27,28)
InChIKeyDMUWTGVCVYTUSC-UHFFFAOYSA-N
XLogP6.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.48
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
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
1-(2-decoxy-5-phenylmethoxyphenyl)ethanone
CID 86036913

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide (CID 17086084) is 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide is CCCCCCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is DMUWTGVCVYTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-2-3-4-10-18-29-25-17-9-8-16-24(25)26(28)27-22-14-11-15-23(19-22)30-20-21-12-6-5-7-13-21/h5-9,11-17,19H,2-4,10,18,20H2,1H3,(H,27,28).
What are the key properties of 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide?
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 403.52 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 17086084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).