methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate

C14H21NO5 — CID 60785844

IUPACmethyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
SMILESCCNC(C(=O)OC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-15-13(14(16)20-5)9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8,13,15H,6H2,1-5H3
InChIKeyDKZHOLIOHTWPJH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.54
Rot. Bonds7

About methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate

methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate (PubChem CID 60785844) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
PubChem CID60785844
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
SMILESCCNC(C(=O)OC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-15-13(14(16)20-5)9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8,13,15H,6H2,1-5H3
InChIKeyDKZHOLIOHTWPJH-UHFFFAOYSA-N
XLogP1.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
2-(2-methylpropylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61001564
methyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-(prop-2-ynylamino)acetate
CID 62366681
2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61002329
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
CID 43753884
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
3-amino-N-methyl-3-(2,4,5-trimethoxyphenyl)propanamide
CID 116850705
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate?
The IUPAC name of methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate (CID 60785844) is methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate is CCNC(C(=O)OC)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate?
The InChIKey is DKZHOLIOHTWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-15-13(14(16)20-5)9-7-11(18-3)12(19-4)8-10(9)17-2/h7-8,13,15H,6H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate?
methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate has a molecular weight of 283.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 60785844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).