N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide

C40H48N2O4 — CID 17131518

IUPACN,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1OCCCc1ccccc1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C40H48N2O4/c43-39(41-35-25-13-15-27-37(35)45-31-17-23-33-19-7-5-8-20-33)29-11-3-1-2-4-12-30-40(44)42-36-26-14-16-28-38(36)46-32-18-24-34-21-9-6-10-22-34/h5-10,13-16,19-22,25-28H,1-4,11-12,17-18,23-24,29-32H2,(H,41,43)(H,42,44)
InChIKeyZWZQPVUBZHUUGC-UHFFFAOYSA-N
MW620.83 g/mol
LogP9.41
Rot. Bonds21

About N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide

N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide (PubChem CID 17131518) has the molecular formula C40H48N2O4 and a molecular weight of 620.83 g/mol. Its IUPAC name is N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
PubChem CID17131518
Molecular FormulaC40H48N2O4
Molecular Weight620.83 g/mol
Exact Mass620.36
IUPAC NameN,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1OCCCc1ccccc1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C40H48N2O4/c43-39(41-35-25-13-15-27-37(35)45-31-17-23-33-19-7-5-8-20-33)29-11-3-1-2-4-12-30-40(44)42-36-26-14-16-28-38(36)46-32-18-24-34-21-9-6-10-22-34/h5-10,13-16,19-22,25-28H,1-4,11-12,17-18,23-24,29-32H2,(H,41,43)(H,42,44)
InChIKeyZWZQPVUBZHUUGC-UHFFFAOYSA-N
XLogP9.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.83
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
4-[2-(11-phenylundecanethioylamino)phenoxy]butanoic acid
CID 54559310
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide?
The IUPAC name of N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide (CID 17131518) is N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide is O=C(CCCCCCCCC(=O)Nc1ccccc1OCCCc1ccccc1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide?
The InChIKey is ZWZQPVUBZHUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O4/c43-39(41-35-25-13-15-27-37(35)45-31-17-23-33-19-7-5-8-20-33)29-11-3-1-2-4-12-30-40(44)42-36-26-14-16-28-38(36)46-32-18-24-34-21-9-6-10-22-34/h5-10,13-16,19-22,25-28H,1-4,11-12,17-18,23-24,29-32H2,(H,41,43)(H,42,44).
What are the key properties of N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide?
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide has a molecular weight of 620.83 g/mol, XLogP of 9.41, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide is sourced from PubChem (CID 17131518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).