5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide

C15H24N2O3 — CID 103529821

IUPAC5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
SMILESCOc1ccc(C(C)NCCCCC(N)=O)cc1OC
InChIInChI=1S/C15H24N2O3/c1-11(17-9-5-4-6-15(16)18)12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H2,16,18)
InChIKeyWJFQEBNISRCJFZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.01
Rot. Bonds9

About 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide

5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide (PubChem CID 103529821) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
PubChem CID103529821
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
SMILESCOc1ccc(C(C)NCCCCC(N)=O)cc1OC
InChIInChI=1S/C15H24N2O3/c1-11(17-9-5-4-6-15(16)18)12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H2,16,18)
InChIKeyWJFQEBNISRCJFZ-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.01
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

5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfanylpentan-1-amine
CID 104926310
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
ethyl 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butanoate
CID 60697010
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide (CID 103529821) is 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide is COc1ccc(C(C)NCCCCC(N)=O)cc1OC.
What is the InChIKey of 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide?
The InChIKey is WJFQEBNISRCJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(17-9-5-4-6-15(16)18)12-7-8-13(19-2)14(10-12)20-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H2,16,18).
What are the key properties of 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide?
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide has a molecular weight of 280.37 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide is sourced from PubChem (CID 103529821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).