N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide

C23H29NO3 — CID 17123828

IUPACN-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2cccc(OCCCCCC)c2)cc1
InChIInChI=1S/C23H29NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16H,2,4-7,15,17H2,1,3H3,(H,24,25)
InChIKeyQJJQGIBPGLWGSP-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.85
Rot. Bonds11

About N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide

N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide (PubChem CID 17123828) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
PubChem CID17123828
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccc(C(=O)Nc2cccc(OCCCCCC)c2)cc1
InChIInChI=1S/C23H29NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16H,2,4-7,15,17H2,1,3H3,(H,24,25)
InChIKeyQJJQGIBPGLWGSP-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-heptoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17122621
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide (CID 17123828) is N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccc(C(=O)Nc2cccc(OCCCCCC)c2)cc1.
What is the InChIKey of N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide?
The InChIKey is QJJQGIBPGLWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-5-6-7-15-26-22-10-8-9-20(16-22)24-23(25)19-11-13-21(14-12-19)27-17-18(2)3/h8-14,16H,2,4-7,15,17H2,1,3H3,(H,24,25).
What are the key properties of N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide?
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide has a molecular weight of 367.49 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17123828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).