N,N'-bis(3-hexoxyphenyl)nonanediamide

C33H50N2O4 — CID 17094975

IUPACN,N'-bis(3-hexoxyphenyl)nonanediamide
SMILESCCCCCCOc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(OCCCCCC)c2)c1
InChIInChI=1S/C33H50N2O4/c1-3-5-7-14-24-38-30-20-16-18-28(26-30)34-32(36)22-12-10-9-11-13-23-33(37)35-29-19-17-21-31(27-29)39-25-15-8-6-4-2/h16-21,26-27H,3-15,22-25H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyHNWONQMTXPDJGP-UHFFFAOYSA-N
MW538.77 g/mol
LogP8.91
Rot. Bonds22

About N,N'-bis(3-hexoxyphenyl)nonanediamide

N,N'-bis(3-hexoxyphenyl)nonanediamide (PubChem CID 17094975) has the molecular formula C33H50N2O4 and a molecular weight of 538.77 g/mol. Its IUPAC name is N,N'-bis(3-hexoxyphenyl)nonanediamide.

Molecular Properties

Compound NameN,N'-bis(3-hexoxyphenyl)nonanediamide
PubChem CID17094975
Molecular FormulaC33H50N2O4
Molecular Weight538.77 g/mol
Exact Mass538.38
IUPAC NameN,N'-bis(3-hexoxyphenyl)nonanediamide
SMILESCCCCCCOc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(OCCCCCC)c2)c1
InChIInChI=1S/C33H50N2O4/c1-3-5-7-14-24-38-30-20-16-18-28(26-30)34-32(36)22-12-10-9-11-13-23-33(37)35-29-19-17-21-31(27-29)39-25-15-8-6-4-2/h16-21,26-27H,3-15,22-25H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyHNWONQMTXPDJGP-UHFFFAOYSA-N
XLogP8.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.77
LogP ≤ 58.91
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(3-hexoxyphenyl)nonanediamide 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

N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
N-[(3-heptoxyphenyl)carbamothioyl]tetradecanamide
CID 54791342
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
CID 43369412
N-[(3-butoxyphenyl)carbamothioyl]octanamide
CID 17095226
(3-hexoxyphenyl)urea
CID 102387253
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-hexoxyphenyl)nonanediamide?
The IUPAC name of N,N'-bis(3-hexoxyphenyl)nonanediamide (CID 17094975) is N,N'-bis(3-hexoxyphenyl)nonanediamide.
What is the SMILES notation for N,N'-bis(3-hexoxyphenyl)nonanediamide?
The canonical SMILES for N,N'-bis(3-hexoxyphenyl)nonanediamide is CCCCCCOc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(OCCCCCC)c2)c1.
What is the InChIKey of N,N'-bis(3-hexoxyphenyl)nonanediamide?
The InChIKey is HNWONQMTXPDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2O4/c1-3-5-7-14-24-38-30-20-16-18-28(26-30)34-32(36)22-12-10-9-11-13-23-33(37)35-29-19-17-21-31(27-29)39-25-15-8-6-4-2/h16-21,26-27H,3-15,22-25H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of N,N'-bis(3-hexoxyphenyl)nonanediamide?
N,N'-bis(3-hexoxyphenyl)nonanediamide has a molecular weight of 538.77 g/mol, XLogP of 8.91, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hexoxyphenyl)nonanediamide is sourced from PubChem (CID 17094975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).