N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride

C24H27ClN2O3 — CID 69329506

IUPACN-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNc1ccccc1.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-28-23-18-21(29-20-12-6-3-7-13-20)14-15-22(23)24(27)26-17-9-8-16-25-19-10-4-2-5-11-19;/h2-7,10-15,18,25H,8-9,16-17H2,1H3,(H,26,27);1H
InChIKeyYVGDJQROOAHHIX-UHFFFAOYSA-N
MW426.94 g/mol
LogP5.53
Rot. Bonds10

About N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride

N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride (PubChem CID 69329506) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
PubChem CID69329506
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC NameN-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
SMILESCOc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNc1ccccc1.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-28-23-18-21(29-20-12-6-3-7-13-20)14-15-22(23)24(27)26-17-9-8-16-25-19-10-4-2-5-11-19;/h2-7,10-15,18,25H,8-9,16-17H2,1H3,(H,26,27);1H
InChIKeyYVGDJQROOAHHIX-UHFFFAOYSA-N
XLogP5.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
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-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
CID 89281710
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride?
The IUPAC name of N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride (CID 69329506) is N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride is COc1cc(Oc2ccccc2)ccc1C(=O)NCCCCNc1ccccc1.Cl.
What is the InChIKey of N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride?
The InChIKey is YVGDJQROOAHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.ClH/c1-28-23-18-21(29-20-12-6-3-7-13-20)14-15-22(23)24(27)26-17-9-8-16-25-19-10-4-2-5-11-19;/h2-7,10-15,18,25H,8-9,16-17H2,1H3,(H,26,27);1H.
What are the key properties of N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride?
N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 69329506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).