2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

C15H24N2O4 — CID 35605521

IUPAC2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1cccc(CNCC(=O)NCCOC)c1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-7-5-6-12(15(13)20-3)10-16-11-14(18)17-8-9-19-2/h5-7,16H,4,8-11H2,1-3H3,(H,17,18)
InChIKeyMJVVKIUFOIQHMT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.95
Rot. Bonds10

About 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 35605521) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID35605521
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCOc1cccc(CNCC(=O)NCCOC)c1OC
InChIInChI=1S/C15H24N2O4/c1-4-21-13-7-5-6-12(15(13)20-3)10-16-11-14(18)17-8-9-19-2/h5-7,16H,4,8-11H2,1-3H3,(H,17,18)
InChIKeyMJVVKIUFOIQHMT-UHFFFAOYSA-N
XLogP0.95
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.95
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

N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 63055961
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 35605521) is 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is CCOc1cccc(CNCC(=O)NCCOC)c1OC.
What is the InChIKey of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is MJVVKIUFOIQHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-21-13-7-5-6-12(15(13)20-3)10-16-11-14(18)17-8-9-19-2/h5-7,16H,4,8-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 35605521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).