ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate

C14H21NO4 — CID 142476777

IUPACethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
SMILESCCOC(=O)CC(C)COc1cc(N)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-14(16)5-10(2)9-19-13-7-11(15)6-12(8-13)17-3/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyMCTSVNGBDYPRPR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.25
Rot. Bonds7

About ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate

ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate (PubChem CID 142476777) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
PubChem CID142476777
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
SMILESCCOC(=O)CC(C)COc1cc(N)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-14(16)5-10(2)9-19-13-7-11(15)6-12(8-13)17-3/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyMCTSVNGBDYPRPR-UHFFFAOYSA-N
XLogP2.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate
CID 20563580
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862
3,5-diethoxyaniline
CID 22605063
4-(4-methoxyphenoxy)-3-methylbutanoic acid
CID 112508051
ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate
CID 172625838
3-bromo-5-(2-methylbutoxy)aniline
CID 103588278

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate?
The IUPAC name of ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate (CID 142476777) is ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate.
What is the SMILES notation for ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate?
The canonical SMILES for ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate is CCOC(=O)CC(C)COc1cc(N)cc(OC)c1.
What is the InChIKey of ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate?
The InChIKey is MCTSVNGBDYPRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-18-14(16)5-10(2)9-19-13-7-11(15)6-12(8-13)17-3/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate?
ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate has a molecular weight of 267.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate is sourced from PubChem (CID 142476777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).