N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide

C37H42N2O4 — CID 17067257

IUPACN,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(OCCc2ccccc2)cc1)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C37H42N2O4/c40-36(38-32-18-22-34(23-19-32)42-28-26-30-12-6-4-7-13-30)16-10-2-1-3-11-17-37(41)39-33-20-24-35(25-21-33)43-29-27-31-14-8-5-9-15-31/h4-9,12-15,18-25H,1-3,10-11,16-17,26-29H2,(H,38,40)(H,39,41)
InChIKeyQFWZPQJDVNHNOW-UHFFFAOYSA-N
MW578.75 g/mol
LogP8.24
Rot. Bonds18

About N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide

N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide (PubChem CID 17067257) has the molecular formula C37H42N2O4 and a molecular weight of 578.75 g/mol. Its IUPAC name is N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
PubChem CID17067257
Molecular FormulaC37H42N2O4
Molecular Weight578.75 g/mol
Exact Mass578.31
IUPAC NameN,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(OCCc2ccccc2)cc1)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C37H42N2O4/c40-36(38-32-18-22-34(23-19-32)42-28-26-30-12-6-4-7-13-30)16-10-2-1-3-11-17-37(41)39-33-20-24-35(25-21-33)43-29-27-31-14-8-5-9-15-31/h4-9,12-15,18-25H,1-3,10-11,16-17,26-29H2,(H,38,40)(H,39,41)
InChIKeyQFWZPQJDVNHNOW-UHFFFAOYSA-N
XLogP8.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.75
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
3-phenylpropyl 5-(4-heptoxyanilino)-5-oxopentanoate
CID 4951564
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
CID 7320451
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide (CID 17067257) is N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1ccc(OCCc2ccccc2)cc1)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide?
The InChIKey is QFWZPQJDVNHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2O4/c40-36(38-32-18-22-34(23-19-32)42-28-26-30-12-6-4-7-13-30)16-10-2-1-3-11-17-37(41)39-33-20-24-35(25-21-33)43-29-27-31-14-8-5-9-15-31/h4-9,12-15,18-25H,1-3,10-11,16-17,26-29H2,(H,38,40)(H,39,41).
What are the key properties of N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide?
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide has a molecular weight of 578.75 g/mol, XLogP of 8.24, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide is sourced from PubChem (CID 17067257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).