N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide

C15H20N2O3 — CID 78908694

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-4-8-16-11-15(18)17-9-7-12-5-6-13(19-2)14(10-12)20-3/h1,5-6,10,16H,7-9,11H2,2-3H3,(H,17,18)
InChIKeyGOBNSHWPXQQUDH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.59
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 78908694) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID78908694
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-4-8-16-11-15(18)17-9-7-12-5-6-13(19-2)14(10-12)20-3/h1,5-6,10,16H,7-9,11H2,2-3H3,(H,17,18)
InChIKeyGOBNSHWPXQQUDH-UHFFFAOYSA-N
XLogP0.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 28569763
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide (CID 78908694) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is GOBNSHWPXQQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-8-16-11-15(18)17-9-7-12-5-6-13(19-2)14(10-12)20-3/h1,5-6,10,16H,7-9,11H2,2-3H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).