ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate

C17H25NO2 — CID 79983186

IUPACethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccccc1C1CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-12(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyWEVALSYMJWVEGB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds7

About ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate

ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate (PubChem CID 79983186) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate
PubChem CID79983186
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccccc1C1CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-12(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyWEVALSYMJWVEGB-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetamide
CID 79982650
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 61001442
ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
CID 79982330
methyl 2-(2-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 79972889
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
ethyl 2-hydroxy-2-[2-(1-methylazepan-4-yl)phenyl]acetate
CID 117470740
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 66156658
1-(2-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
CID 79982949
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-[1-[(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetyl]oxypyrrolidin-1-ium-1-yl]propanoate bromide
CID 118365534

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate?
The IUPAC name of ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate (CID 79983186) is ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate.
What is the SMILES notation for ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate?
The canonical SMILES for ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate is CCOC(=O)C(NCC(C)C)c1ccccc1C1CC1.
What is the InChIKey of ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate?
The InChIKey is WEVALSYMJWVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17(19)16(18-11-12(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,12-13,16,18H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate?
ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate has a molecular weight of 275.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate is sourced from PubChem (CID 79983186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).