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

C15H20ClNO4 — CID 61022317

IUPACethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H20ClNO4/c1-4-20-15(19)9-17(11(2)3)14(18)10-21-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyDUQVQKCSHYRIGM-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.52
Rot. Bonds7

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

ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate (PubChem CID 61022317) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
PubChem CID61022317
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Nameethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H20ClNO4/c1-4-20-15(19)9-17(11(2)3)14(18)10-21-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyDUQVQKCSHYRIGM-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 78878045
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132658928
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate (CID 61022317) is ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)COc1ccccc1Cl)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate?
The InChIKey is DUQVQKCSHYRIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-20-15(19)9-17(11(2)3)14(18)10-21-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate has a molecular weight of 313.78 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).