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

C23H29NO3 — CID 17130484

IUPACN-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(OCCCCCC)c1
InChIInChI=1S/C23H29NO3/c1-4-5-6-9-15-26-20-12-10-11-19(16-20)24-23(25)21-13-7-8-14-22(21)27-17-18(2)3/h7-8,10-14,16H,2,4-6,9,15,17H2,1,3H3,(H,24,25)
InChIKeyLJWNSMHALFDNAT-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.85
Rot. Bonds11

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

N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 17130484) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
PubChem CID17130484
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(OCCCCCC)c1
InChIInChI=1S/C23H29NO3/c1-4-5-6-9-15-26-20-12-10-11-19(16-20)24-23(25)21-13-7-8-14-22(21)27-17-18(2)3/h7-8,10-14,16H,2,4-6,9,15,17H2,1,3H3,(H,24,25)
InChIKeyLJWNSMHALFDNAT-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

N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide (CID 17130484) is N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)Nc1cccc(OCCCCCC)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is LJWNSMHALFDNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-5-6-9-15-26-20-12-10-11-19(16-20)24-23(25)21-13-7-8-14-22(21)27-17-18(2)3/h7-8,10-14,16H,2,4-6,9,15,17H2,1,3H3,(H,24,25).
What are the key properties of N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide?
N-(3-hexoxyphenyl)-2-(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)-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17130484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).