N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide

C19H23NO3 — CID 169319919

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
SMILESC#CC#CCCCCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-4-5-6-7-8-9-10-19(21)20-14-13-16-11-12-17(22-2)18(15-16)23-3/h1,11-12,15H,7-10,13-14H2,2-3H3,(H,20,21)
InChIKeyRJZIVJBYQZCFRV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide

N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide (PubChem CID 169319919) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
PubChem CID169319919
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
SMILESC#CC#CCCCCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-4-5-6-7-8-9-10-19(21)20-14-13-16-11-12-17(22-2)18(15-16)23-3/h1,11-12,15H,7-10,13-14H2,2-3H3,(H,20,21)
InChIKeyRJZIVJBYQZCFRV-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
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]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxohexanamide
CID 10435447
N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pentanamide
CID 19187738
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
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-dimethoxyphenyl)ethyl]nona-6,8-diynamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide (CID 169319919) is N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide is C#CC#CCCCCC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide?
The InChIKey is RJZIVJBYQZCFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-5-6-7-8-9-10-19(21)20-14-13-16-11-12-17(22-2)18(15-16)23-3/h1,11-12,15H,7-10,13-14H2,2-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide has a molecular weight of 313.40 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide is sourced from PubChem (CID 169319919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).