N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide

C24H30Cl2N2O4 — CID 19860206

IUPACN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
SMILESCOc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C24H30Cl2N2O4/c1-31-21-10-8-18(16-22(21)32-2)12-14-28-24(30)6-4-3-5-23(29)27-13-11-17-7-9-19(25)20(26)15-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIHVWGICKJLFLHX-UHFFFAOYSA-N
MW481.42 g/mol
LogP4.59
Rot. Bonds13

About N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide

N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide (PubChem CID 19860206) has the molecular formula C24H30Cl2N2O4 and a molecular weight of 481.42 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
PubChem CID19860206
Molecular FormulaC24H30Cl2N2O4
Molecular Weight481.42 g/mol
Exact Mass480.16
IUPAC NameN'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
SMILESCOc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C24H30Cl2N2O4/c1-31-21-10-8-18(16-22(21)32-2)12-14-28-24(30)6-4-3-5-23(29)27-13-11-17-7-9-19(25)20(26)15-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIHVWGICKJLFLHX-UHFFFAOYSA-N
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide 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-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 20629413
N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
CID 169319919
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide (CID 19860206) is N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide is COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide?
The InChIKey is IHVWGICKJLFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O4/c1-31-21-10-8-18(16-22(21)32-2)12-14-28-24(30)6-4-3-5-23(29)27-13-11-17-7-9-19(25)20(26)15-17/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide?
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide has a molecular weight of 481.42 g/mol, XLogP of 4.59, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide is sourced from PubChem (CID 19860206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).