ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate

C20H22ClNO5 — CID 42959968

IUPACethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)NC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-4-26-19(23)12-27-17-10-9-14(11-18(17)25-3)13(2)22-20(24)15-7-5-6-8-16(15)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyANQZLMNDZDPXDY-UHFFFAOYSA-N
MW391.85 g/mol
LogP3.78
Rot. Bonds8

About ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate

ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate (PubChem CID 42959968) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
PubChem CID42959968
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Nameethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(C)NC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-4-26-19(23)12-27-17-10-9-14(11-18(17)25-3)13(2)22-20(24)15-7-5-6-8-16(15)21/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyANQZLMNDZDPXDY-UHFFFAOYSA-N
XLogP3.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959966
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate (CID 42959968) is ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate is CCOC(=O)COc1ccc(C(C)NC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
The InChIKey is ANQZLMNDZDPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-4-26-19(23)12-27-17-10-9-14(11-18(17)25-3)13(2)22-20(24)15-7-5-6-8-16(15)21/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate?
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate has a molecular weight of 391.85 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 42959968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).