ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate

C17H27NO3 — CID 106677068

IUPACethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CCO)C(CC)CC
InChIInChI=1S/C17H27NO3/c1-4-15(5-2)18(12-13-19)16(17(20)21-6-3)14-10-8-7-9-11-14/h7-11,15-16,19H,4-6,12-13H2,1-3H3
InChIKeyKVWDWNNBAQVLFD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.77
Rot. Bonds9

About ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate

ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate (PubChem CID 106677068) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
PubChem CID106677068
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(CCO)C(CC)CC
InChIInChI=1S/C17H27NO3/c1-4-15(5-2)18(12-13-19)16(17(20)21-6-3)14-10-8-7-9-11-14/h7-11,15-16,19H,4-6,12-13H2,1-3H3
InChIKeyKVWDWNNBAQVLFD-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-phenylacetate
CID 106677134
ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
CID 107200700
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
CID 63577148
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
ethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
CID 106677126
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-2-phenyl-3-sulfanylidenepropanamide
CID 62878262
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
ethyl 2-phenylbutanoate;sulfane
CID 174662373
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate (CID 106677068) is ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(CCO)C(CC)CC.
What is the InChIKey of ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate?
The InChIKey is KVWDWNNBAQVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-15(5-2)18(12-13-19)16(17(20)21-6-3)14-10-8-7-9-11-14/h7-11,15-16,19H,4-6,12-13H2,1-3H3.
What are the key properties of ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate?
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate has a molecular weight of 293.41 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate is sourced from PubChem (CID 106677068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).