N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide

C15H24N2O4 — CID 79270541

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-11(17-15(18)10-16-7-8-19-2)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyFTZYAEHTARQURP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.12
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79270541) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID79270541
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-11(17-15(18)10-16-7-8-19-2)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyFTZYAEHTARQURP-UHFFFAOYSA-N
XLogP1.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide (CID 79270541) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is FTZYAEHTARQURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(17-15(18)10-16-7-8-19-2)12-5-6-13(20-3)14(9-12)21-4/h5-6,9,11,16H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79270541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).