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

C27H31NO4 — CID 4958241

IUPAC2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-2-3-4-10-19-32-26-14-9-8-13-25(26)27(29)28-22-15-17-24(18-16-22)31-21-20-30-23-11-6-5-7-12-23/h5-9,11-18H,2-4,10,19-21H2,1H3,(H,28,29)
InChIKeyHHPMCLAWJMTTTJ-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.36
Rot. Bonds13

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

2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 4958241) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID4958241
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C27H31NO4/c1-2-3-4-10-19-32-26-14-9-8-13-25(26)27(29)28-22-15-17-24(18-16-22)31-21-20-30-23-11-6-5-7-12-23/h5-9,11-18H,2-4,10,19-21H2,1H3,(H,28,29)
InChIKeyHHPMCLAWJMTTTJ-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

2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide (CID 4958241) is 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is HHPMCLAWJMTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-2-3-4-10-19-32-26-14-9-8-13-25(26)27(29)28-22-15-17-24(18-16-22)31-21-20-30-23-11-6-5-7-12-23/h5-9,11-18H,2-4,10,19-21H2,1H3,(H,28,29).
What are the key properties of 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
2-hexoxy-N-[4-(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 2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 4958241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).