N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide

C26H36N2O6 — CID 3517424

IUPACN-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H36N2O6/c1-31-19-11-13-21(23(17-19)33-3)25(29)27-15-9-7-5-6-8-10-16-28-26(30)22-14-12-20(32-2)18-24(22)34-4/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWDTQFYFRZTTWMU-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.22
Rot. Bonds15

About N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide

N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide (PubChem CID 3517424) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
PubChem CID3517424
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC NameN-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C26H36N2O6/c1-31-19-11-13-21(23(17-19)33-3)25(29)27-15-9-7-5-6-8-10-16-28-26(30)22-14-12-20(32-2)18-24(22)34-4/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWDTQFYFRZTTWMU-UHFFFAOYSA-N
XLogP4.22
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
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
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide (CID 3517424) is N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide?
The InChIKey is WDTQFYFRZTTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-31-19-11-13-21(23(17-19)33-3)25(29)27-15-9-7-5-6-8-10-16-28-26(30)22-14-12-20(32-2)18-24(22)34-4/h11-14,17-18H,5-10,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide?
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide has a molecular weight of 472.58 g/mol, XLogP of 4.22, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3517424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).