2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide

C15H23N3O3 — CID 61108210

IUPAC2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-9-7-6-8-12(13)16/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyPALUOSRVZNUHKK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds7

About 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide

2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide (PubChem CID 61108210) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
PubChem CID61108210
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-9-7-6-8-12(13)16/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyPALUOSRVZNUHKK-UHFFFAOYSA-N
XLogP0.97
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693890
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
2-ethoxyaniline;propan-2-one
CID 517004
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide (CID 61108210) is 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C(=O)COc1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is PALUOSRVZNUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(5-2)14(19)10-17(3)15(20)11-21-13-9-7-6-8-12(13)16/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide?
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 61108210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).