methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate

C15H24N2O3 — CID 61001176

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
SMILESCCOc1cccc(C(NCCN(C)C)C(=O)OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(11-13)14(15(18)19-4)16-9-10-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyHJINGMXYSFDFDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.45
Rot. Bonds8

About methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate

methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate (PubChem CID 61001176) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
PubChem CID61001176
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
SMILESCCOc1cccc(C(NCCN(C)C)C(=O)OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(11-13)14(15(18)19-4)16-9-10-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyHJINGMXYSFDFDJ-UHFFFAOYSA-N
XLogP1.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353489
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
CID 115524534
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 60996063
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 63667585

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate (CID 61001176) is methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate is CCOc1cccc(C(NCCN(C)C)C(=O)OC)c1.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate?
The InChIKey is HJINGMXYSFDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-13-8-6-7-12(11-13)14(15(18)19-4)16-9-10-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate?
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate has a molecular weight of 280.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate is sourced from PubChem (CID 61001176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).