N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide

C34H36N2O6 — CID 59720906

IUPACN-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OCCOCCOCCOc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H36N2O6/c1-35(33(37)27-9-5-3-6-10-27)29-13-17-31(18-14-29)41-25-23-39-21-22-40-24-26-42-32-19-15-30(16-20-32)36(2)34(38)28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3
InChIKeyPJQJQTVYSGIACJ-UHFFFAOYSA-N
MW568.67 g/mol
LogP5.73
Rot. Bonds15

About N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide

N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide (PubChem CID 59720906) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
PubChem CID59720906
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC NameN-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(OCCOCCOCCOc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H36N2O6/c1-35(33(37)27-9-5-3-6-10-27)29-13-17-31(18-14-29)41-25-23-39-21-22-40-24-26-42-32-19-15-30(16-20-32)36(2)34(38)28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3
InChIKeyPJQJQTVYSGIACJ-UHFFFAOYSA-N
XLogP5.73
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 55.73
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

2-[4-[benzoyl(methyl)amino]phenoxy]acetate
CID 2360632
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
CID 2356513
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
[4-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethenyl]phenyl]-methylcarbamic acid
CID 141149139
CID 173432275
CID 173432275
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide?
The IUPAC name of N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide (CID 59720906) is N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccc(OCCOCCOCCOc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide?
The InChIKey is PJQJQTVYSGIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O6/c1-35(33(37)27-9-5-3-6-10-27)29-13-17-31(18-14-29)41-25-23-39-21-22-40-24-26-42-32-19-15-30(16-20-32)36(2)34(38)28-11-7-4-8-12-28/h3-20H,21-26H2,1-2H3.
What are the key properties of N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide?
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide has a molecular weight of 568.67 g/mol, XLogP of 5.73, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide is sourced from PubChem (CID 59720906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).