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

C38H44N2O6 — CID 17130993

IUPACN,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C38H44N2O6/c41-37(39-33-21-13-15-23-35(33)45-29-27-43-31-17-7-5-8-18-31)25-11-3-1-2-4-12-26-38(42)40-34-22-14-16-24-36(34)46-30-28-44-32-19-9-6-10-20-32/h5-10,13-24H,1-4,11-12,25-30H2,(H,39,41)(H,40,42)
InChIKeyCQEXNJOWIPWSPY-UHFFFAOYSA-N
MW624.78 g/mol
LogP8.30
Rot. Bonds21

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

N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide (PubChem CID 17130993) has the molecular formula C38H44N2O6 and a molecular weight of 624.78 g/mol. Its IUPAC name is N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
PubChem CID17130993
Molecular FormulaC38H44N2O6
Molecular Weight624.78 g/mol
Exact Mass624.32
IUPAC NameN,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C38H44N2O6/c41-37(39-33-21-13-15-23-35(33)45-29-27-43-31-17-7-5-8-18-31)25-11-3-1-2-4-12-26-38(42)40-34-22-14-16-24-36(34)46-30-28-44-32-19-9-6-10-20-32/h5-10,13-24H,1-4,11-12,25-30H2,(H,39,41)(H,40,42)
InChIKeyCQEXNJOWIPWSPY-UHFFFAOYSA-N
XLogP8.30
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 58.30
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,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
CID 47000270
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide?
The IUPAC name of N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide (CID 17130993) is N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide is O=C(CCCCCCCCC(=O)Nc1ccccc1OCCOc1ccccc1)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide?
The InChIKey is CQEXNJOWIPWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O6/c41-37(39-33-21-13-15-23-35(33)45-29-27-43-31-17-7-5-8-18-31)25-11-3-1-2-4-12-26-38(42)40-34-22-14-16-24-36(34)46-30-28-44-32-19-9-6-10-20-32/h5-10,13-24H,1-4,11-12,25-30H2,(H,39,41)(H,40,42).
What are the key properties of N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide?
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide has a molecular weight of 624.78 g/mol, XLogP of 8.30, 21 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]decanediamide is sourced from PubChem (CID 17130993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).