4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide

C27H31NO4 — CID 17123562

IUPAC4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C27H31NO4/c1-2-3-4-8-18-30-25-16-14-22(15-17-25)27(29)28-23-10-9-13-26(21-23)32-20-19-31-24-11-6-5-7-12-24/h5-7,9-17,21H,2-4,8,18-20H2,1H3,(H,28,29)
InChIKeyZXXBRKVTWXGDMV-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.36
Rot. Bonds13

About 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide

4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17123562) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17123562
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C27H31NO4/c1-2-3-4-8-18-30-25-16-14-22(15-17-25)27(29)28-23-10-9-13-26(21-23)32-20-19-31-24-11-6-5-7-12-24/h5-7,9-17,21H,2-4,8,18-20H2,1H3,(H,28,29)
InChIKeyZXXBRKVTWXGDMV-UHFFFAOYSA-N
XLogP6.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.36
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

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide (CID 17123562) is 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is ZXXBRKVTWXGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-2-3-4-8-18-30-25-16-14-22(15-17-25)27(29)28-23-10-9-13-26(21-23)32-20-19-31-24-11-6-5-7-12-24/h5-7,9-17,21H,2-4,8,18-20H2,1H3,(H,28,29).
What are the key properties of 4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 6.36, 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-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17123562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).