N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide

C46H44N2O6 — CID 4954876

IUPACN-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(c1ccccc1OCCOc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1ccccc1OCCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H44N2O6/c49-45(41-25-13-15-27-43(41)53-33-31-51-39-21-9-3-10-22-39)47(35-37-17-5-1-6-18-37)29-30-48(36-38-19-7-2-8-20-38)46(50)42-26-14-16-28-44(42)54-34-32-52-40-23-11-4-12-24-40/h1-28H,29-36H2
InChIKeyHWFOKXJJWIUYCL-UHFFFAOYSA-N
MW720.87 g/mol
LogP8.59
Rot. Bonds19

About N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide

N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 4954876) has the molecular formula C46H44N2O6 and a molecular weight of 720.87 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID4954876
Molecular FormulaC46H44N2O6
Molecular Weight720.87 g/mol
Exact Mass720.32
IUPAC NameN-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(c1ccccc1OCCOc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1ccccc1OCCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H44N2O6/c49-45(41-25-13-15-27-43(41)53-33-31-51-39-21-9-3-10-22-39)47(35-37-17-5-1-6-18-37)29-30-48(36-38-19-7-2-8-20-38)46(50)42-26-14-16-28-44(42)54-34-32-52-40-23-11-4-12-24-40/h1-28H,29-36H2
InChIKeyHWFOKXJJWIUYCL-UHFFFAOYSA-N
XLogP8.59
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide (CID 4954876) is N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide is O=C(c1ccccc1OCCOc1ccccc1)N(CCN(Cc1ccccc1)C(=O)c1ccccc1OCCOc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is HWFOKXJJWIUYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2O6/c49-45(41-25-13-15-27-43(41)53-33-31-51-39-21-9-3-10-22-39)47(35-37-17-5-1-6-18-37)29-30-48(36-38-19-7-2-8-20-38)46(50)42-26-14-16-28-44(42)54-34-32-52-40-23-11-4-12-24-40/h1-28H,29-36H2.
What are the key properties of N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide?
N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 720.87 g/mol, XLogP of 8.59, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).