2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide

C13H20N2O2 — CID 54869826

IUPAC2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10-6-11(2)8-12(7-10)17-5-4-15(3)13(16)9-14/h6-8H,4-5,9,14H2,1-3H3
InChIKeyACXNIUKRQBPKDO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide

2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide (PubChem CID 54869826) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
PubChem CID54869826
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10-6-11(2)8-12(7-10)17-5-4-15(3)13(16)9-14/h6-8H,4-5,9,14H2,1-3H3
InChIKeyACXNIUKRQBPKDO-UHFFFAOYSA-N
XLogP1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
(2S,3S)-2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100129
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 31795480
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 46637977
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-formylphenoxy)-N-methylacetamide
CID 134044878
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide (CID 54869826) is 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide is Cc1cc(C)cc(OCCN(C)C(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide?
The InChIKey is ACXNIUKRQBPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-11(2)8-12(7-10)17-5-4-15(3)13(16)9-14/h6-8H,4-5,9,14H2,1-3H3.
What are the key properties of 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide?
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 54869826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).