N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide

C23H32N2O3 — CID 78895384

IUPACN-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCCCCCCOc1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C23H32N2O3/c1-5-6-7-8-13-28-22-12-10-19(14-23(22)27-4)16-24-20-11-9-17(2)21(15-20)25-18(3)26/h9-12,14-15,24H,5-8,13,16H2,1-4H3,(H,25,26)
InChIKeyHTQWRHCEURIPBP-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.53
Rot. Bonds11

About N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide

N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 78895384) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID78895384
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCCCCCCOc1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C23H32N2O3/c1-5-6-7-8-13-28-22-12-10-19(14-23(22)27-4)16-24-20-11-9-17(2)21(15-20)25-18(3)26/h9-12,14-15,24H,5-8,13,16H2,1-4H3,(H,25,26)
InChIKeyHTQWRHCEURIPBP-UHFFFAOYSA-N
XLogP5.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
CID 70368312
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
N-[(3-acetamido-4-methylphenyl)carbamothioyl]-2-hexoxybenzamide
CID 54777282

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide (CID 78895384) is N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide is CCCCCCOc1ccc(CNc2ccc(C)c(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is HTQWRHCEURIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-5-6-7-8-13-28-22-12-10-19(14-23(22)27-4)16-24-20-11-9-17(2)21(15-20)25-18(3)26/h9-12,14-15,24H,5-8,13,16H2,1-4H3,(H,25,26).
What are the key properties of N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide?
N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-hexoxy-3-methoxyphenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 78895384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).