N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide

C33H34N2O6 — CID 17131186

IUPACN,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C33H34N2O6/c36-32(34-28-16-7-9-18-30(28)40-24-22-38-26-12-3-1-4-13-26)20-11-21-33(37)35-29-17-8-10-19-31(29)41-25-23-39-27-14-5-2-6-15-27/h1-10,12-19H,11,20-25H2,(H,34,36)(H,35,37)
InChIKeyGUUVMPGBYXYIIZ-UHFFFAOYSA-N
MW554.64 g/mol
LogP6.35
Rot. Bonds16

About N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide

N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide (PubChem CID 17131186) has the molecular formula C33H34N2O6 and a molecular weight of 554.64 g/mol. Its IUPAC name is N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
PubChem CID17131186
Molecular FormulaC33H34N2O6
Molecular Weight554.64 g/mol
Exact Mass554.24
IUPAC NameN,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C33H34N2O6/c36-32(34-28-16-7-9-18-30(28)40-24-22-38-26-12-3-1-4-13-26)20-11-21-33(37)35-29-17-8-10-19-31(29)41-25-23-39-27-14-5-2-6-15-27/h1-10,12-19H,11,20-25H2,(H,34,36)(H,35,37)
InChIKeyGUUVMPGBYXYIIZ-UHFFFAOYSA-N
XLogP6.35
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 56.35
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

5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
CID 47000270
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide (CID 17131186) is N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide is O=C(CCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide?
The InChIKey is GUUVMPGBYXYIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O6/c36-32(34-28-16-7-9-18-30(28)40-24-22-38-26-12-3-1-4-13-26)20-11-21-33(37)35-29-17-8-10-19-31(29)41-25-23-39-27-14-5-2-6-15-27/h1-10,12-19H,11,20-25H2,(H,34,36)(H,35,37).
What are the key properties of N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide?
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide has a molecular weight of 554.64 g/mol, XLogP of 6.35, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide is sourced from PubChem (CID 17131186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).