ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate

C17H26N2O2 — CID 79972888

IUPACethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1ccccc1C1CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-11-12-19(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyACUSJJGRYXMGER-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds8

About ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate

ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 79972888) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
PubChem CID79972888
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCCOC(=O)C(NCCN(C)C)c1ccccc1C1CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-11-12-19(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyACUSJJGRYXMGER-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate (CID 79972888) is ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate is CCOC(=O)C(NCCN(C)C)c1ccccc1C1CC1.
What is the InChIKey of ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is ACUSJJGRYXMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-17(20)16(18-11-12-19(2)3)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate?
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 290.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 79972888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).