methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate

C14H18ClNO5 — CID 62954669

IUPACmethyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCOc1cccc(Cl)c1)CC(=O)OC
InChIInChI=1S/C14H18ClNO5/c1-19-13(17)9-16(10-14(18)20-2)6-7-21-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyIZWHNJKKFBGJQO-UHFFFAOYSA-N
MW315.75 g/mol
LogP1.37
Rot. Bonds8

About methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62954669) has the molecular formula C14H18ClNO5 and a molecular weight of 315.75 g/mol. Its IUPAC name is methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62954669
Molecular FormulaC14H18ClNO5
Molecular Weight315.75 g/mol
Exact Mass315.09
IUPAC Namemethyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCOc1cccc(Cl)c1)CC(=O)OC
InChIInChI=1S/C14H18ClNO5/c1-19-13(17)9-16(10-14(18)20-2)6-7-21-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyIZWHNJKKFBGJQO-UHFFFAOYSA-N
XLogP1.37
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
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methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
CID 62027570
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41416148
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62954669) is methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCOc1cccc(Cl)c1)CC(=O)OC.
What is the InChIKey of methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is IZWHNJKKFBGJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5/c1-19-13(17)9-16(10-14(18)20-2)6-7-21-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 315.75 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62954669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).