ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate

C15H22ClNO3 — CID 62027570

IUPACethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCOc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-4-19-15(18)11-17(12(2)3)8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyBSFOQVGWMOVHNG-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.99
Rot. Bonds8

About ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate

ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate (PubChem CID 62027570) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
PubChem CID62027570
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Nameethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CCOc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-4-19-15(18)11-17(12(2)3)8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyBSFOQVGWMOVHNG-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate (CID 62027570) is ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate is CCOC(=O)CN(CCOc1cccc(Cl)c1)C(C)C.
What is the InChIKey of ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate?
The InChIKey is BSFOQVGWMOVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-19-15(18)11-17(12(2)3)8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate?
ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate has a molecular weight of 299.80 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate is sourced from PubChem (CID 62027570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).