ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate

C17H25NO3 — CID 135289845

IUPACethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate
SMILESCCOC(=O)CC1(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-2-21-16(20)12-17(8-9-17)14-18(10-11-19)13-15-6-4-3-5-7-15/h3-7,19H,2,8-14H2,1H3
InChIKeyUFJXERAVWHPHEK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds9

About ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate

ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate (PubChem CID 135289845) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate
PubChem CID135289845
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate
SMILESCCOC(=O)CC1(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-2-21-16(20)12-17(8-9-17)14-18(10-11-19)13-15-6-4-3-5-7-15/h3-7,19H,2,8-14H2,1H3
InChIKeyUFJXERAVWHPHEK-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80602116
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
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2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol
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ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[benzyl(cyanomethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate?
The IUPAC name of ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate (CID 135289845) is ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate is CCOC(=O)CC1(CN(CCO)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate?
The InChIKey is UFJXERAVWHPHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-21-16(20)12-17(8-9-17)14-18(10-11-19)13-15-6-4-3-5-7-15/h3-7,19H,2,8-14H2,1H3.
What are the key properties of ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate?
ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate is sourced from PubChem (CID 135289845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).