2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate

C16H23NO5 — CID 57325233

IUPAC2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
SMILESCOc1ccc(C)cc1N(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C16H23NO5/c1-12-5-6-16(20-4)15(11-12)17(7-9-21-13(2)18)8-10-22-14(3)19/h5-6,11H,7-10H2,1-4H3
InChIKeyLJHYAJNABXSLRT-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.94
Rot. Bonds8

About 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate

2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate (PubChem CID 57325233) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate.

Molecular Properties

Compound Name2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
PubChem CID57325233
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
SMILESCOc1ccc(C)cc1N(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C16H23NO5/c1-12-5-6-16(20-4)15(11-12)17(7-9-21-13(2)18)8-10-22-14(3)19/h5-6,11H,7-10H2,1-4H3
InChIKeyLJHYAJNABXSLRT-UHFFFAOYSA-N
XLogP1.94
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-5-methylanilino]ethoxy]ethanol;2-methoxy-5-methylaniline
CID 161365967
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630
tris(2-hydroxyethyl)-[2-[2-[2-methoxy-5-methyl-N-[2-[2-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]ethoxy]ethyl]anilino]ethoxy]ethyl]azanium
CID 140580932
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
CID 142942704
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-[2-methoxy-5-methyl-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319692
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate?
The IUPAC name of 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate (CID 57325233) is 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate.
What is the SMILES notation for 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate?
The canonical SMILES for 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate is COc1ccc(C)cc1N(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate?
The InChIKey is LJHYAJNABXSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-12-5-6-16(20-4)15(11-12)17(7-9-21-13(2)18)8-10-22-14(3)19/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate?
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate has a molecular weight of 309.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate is sourced from PubChem (CID 57325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).