N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide

C16H25NO3 — CID 5073739

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-5-6-7-16(18)17-11-10-13-8-9-14(19-2)15(12-13)20-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyYBMQBMRDOSWAOH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide (PubChem CID 5073739) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
PubChem CID5073739
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-5-6-7-16(18)17-11-10-13-8-9-14(19-2)15(12-13)20-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyYBMQBMRDOSWAOH-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pentanamide
CID 19187738
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
4-[2-(3-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate
CID 9152045
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-[2-(3,4-dimethoxyphenyl)ethyl]nona-6,8-diynamide
CID 169319919
5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 20629413
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
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]hexanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide (CID 5073739) is N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide is CCCCCC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide?
The InChIKey is YBMQBMRDOSWAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-6-7-16(18)17-11-10-13-8-9-14(19-2)15(12-13)20-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide has a molecular weight of 279.38 g/mol, XLogP of 2.94, 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]hexanamide is sourced from PubChem (CID 5073739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).