N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide

C21H25ClN2O5 — CID 55687000

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide
SMILESCOc1cccc(COC(C)C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H25ClN2O5/c1-14(29-13-15-6-5-7-17(10-15)27-3)21(26)24(2)12-20(25)23-18-11-16(22)8-9-19(18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,25)
InChIKeyQTMZKCTUOISGAG-UHFFFAOYSA-N
MW420.89 g/mol
LogP3.36
Rot. Bonds9

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide (PubChem CID 55687000) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide
PubChem CID55687000
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide
SMILESCOc1cccc(COC(C)C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C21H25ClN2O5/c1-14(29-13-15-6-5-7-17(10-15)27-3)21(26)24(2)12-20(25)23-18-11-16(22)8-9-19(18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,25)
InChIKeyQTMZKCTUOISGAG-UHFFFAOYSA-N
XLogP3.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788847
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 55996549
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 55388575
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide (CID 55687000) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide is COc1cccc(COC(C)C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide?
The InChIKey is QTMZKCTUOISGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-14(29-13-15-6-5-7-17(10-15)27-3)21(26)24(2)12-20(25)23-18-11-16(22)8-9-19(18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide has a molecular weight of 420.89 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methoxy]-N-methylpropanamide is sourced from PubChem (CID 55687000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).