N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide

C24H32N2O6 — CID 4051354

IUPACN-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C24H32N2O6/c1-29-17-9-11-19(21(15-17)31-3)23(27)25-13-7-5-6-8-14-26-24(28)20-12-10-18(30-2)16-22(20)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySVOMJNGNSNHMRZ-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.44
Rot. Bonds13

About N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide

N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide (PubChem CID 4051354) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
PubChem CID4051354
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC NameN-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C24H32N2O6/c1-29-17-9-11-19(21(15-17)31-3)23(27)25-13-7-5-6-8-14-26-24(28)20-12-10-18(30-2)16-22(20)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeySVOMJNGNSNHMRZ-UHFFFAOYSA-N
XLogP3.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.44
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-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
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-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide (CID 4051354) is N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide?
The InChIKey is SVOMJNGNSNHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-29-17-9-11-19(21(15-17)31-3)23(27)25-13-7-5-6-8-14-26-24(28)20-12-10-18(30-2)16-22(20)32-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide?
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide has a molecular weight of 444.53 g/mol, XLogP of 3.44, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4051354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).