2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide

C22H26Cl2N2O4 — CID 132675208

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C22H26Cl2N2O4/c1-4-20(22(28)25-5-2)26(13-17-18(23)7-6-8-19(17)24)21(27)14-30-16-11-9-15(29-3)10-12-16/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyPMEFZVWHMQYDBH-UHFFFAOYSA-N
MW453.37 g/mol
LogP4.32
Rot. Bonds10

About 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide

2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide (PubChem CID 132675208) has the molecular formula C22H26Cl2N2O4 and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
PubChem CID132675208
Molecular FormulaC22H26Cl2N2O4
Molecular Weight453.37 g/mol
Exact Mass452.13
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C22H26Cl2N2O4/c1-4-20(22(28)25-5-2)26(13-17-18(23)7-6-8-19(17)24)21(27)14-30-16-11-9-15(29-3)10-12-16/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyPMEFZVWHMQYDBH-UHFFFAOYSA-N
XLogP4.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621364
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide
CID 132671276
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 100510022
N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]butanamide
CID 132722094
(2S)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]butanamide
CID 100740615
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-ethylbutanamide
CID 132672258
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 100735357
2-[[2-(4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132619042
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]butanamide
CID 100741773
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 100742305

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide (CID 132675208) is 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
The InChIKey is PMEFZVWHMQYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4/c1-4-20(22(28)25-5-2)26(13-17-18(23)7-6-8-19(17)24)21(27)14-30-16-11-9-15(29-3)10-12-16/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide has a molecular weight of 453.37 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132675208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).