ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate

C22H30N2O4 — CID 10452747

IUPACethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate
SMILESCCOC(=O)C(CC)Nc1ccc(C)cc1OCCOc1cc(C)ccc1N
InChIInChI=1S/C22H30N2O4/c1-5-18(22(25)26-6-2)24-19-10-8-16(4)14-21(19)28-12-11-27-20-13-15(3)7-9-17(20)23/h7-10,13-14,18,24H,5-6,11-12,23H2,1-4H3
InChIKeyZGTAZZDWXHFTLM-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.10
Rot. Bonds10

About ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate

ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate (PubChem CID 10452747) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate
PubChem CID10452747
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Nameethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate
SMILESCCOC(=O)C(CC)Nc1ccc(C)cc1OCCOc1cc(C)ccc1N
InChIInChI=1S/C22H30N2O4/c1-5-18(22(25)26-6-2)24-19-10-8-16(4)14-21(19)28-12-11-27-20-13-15(3)7-9-17(20)23/h7-10,13-14,18,24H,5-6,11-12,23H2,1-4H3
InChIKeyZGTAZZDWXHFTLM-UHFFFAOYSA-N
XLogP4.10
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
4-methyl-2-propoxyaniline
CID 24698653
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
3-(2-amino-5-methylphenoxy)-N-ethylpropanamide
CID 62325813
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
ethyl 2-[2-[2-[4-acetyloxy-2-[(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]-4-methylanilino]propanoate
CID 10369291
[2-[2-(2-amino-5-methylphenoxy)ethoxy]anilino]methanol
CID 126570860
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate?
The IUPAC name of ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate (CID 10452747) is ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate.
What is the SMILES notation for ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate?
The canonical SMILES for ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate is CCOC(=O)C(CC)Nc1ccc(C)cc1OCCOc1cc(C)ccc1N.
What is the InChIKey of ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate?
The InChIKey is ZGTAZZDWXHFTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-5-18(22(25)26-6-2)24-19-10-8-16(4)14-21(19)28-12-11-27-20-13-15(3)7-9-17(20)23/h7-10,13-14,18,24H,5-6,11-12,23H2,1-4H3.
What are the key properties of ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate?
ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate has a molecular weight of 386.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2-amino-5-methylphenoxy)ethoxy]-4-methylanilino]butanoate is sourced from PubChem (CID 10452747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).