N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide

C22H27Cl2N3O3 — CID 55837566

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H27Cl2N3O3/c1-5-10-27(14(2)16-6-8-18(23)19(24)11-16)13-22(29)26-20-12-17(25-15(3)28)7-9-21(20)30-4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyHCQYBWOZHNXZDW-UHFFFAOYSA-N
MW452.38 g/mol
LogP5.37
Rot. Bonds9

About N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide (PubChem CID 55837566) has the molecular formula C22H27Cl2N3O3 and a molecular weight of 452.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide
PubChem CID55837566
Molecular FormulaC22H27Cl2N3O3
Molecular Weight452.38 g/mol
Exact Mass451.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H27Cl2N3O3/c1-5-10-27(14(2)16-6-8-18(23)19(24)11-16)13-22(29)26-20-12-17(25-15(3)28)7-9-21(20)30-4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyHCQYBWOZHNXZDW-UHFFFAOYSA-N
XLogP5.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801808
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 17447633
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
CID 8834661

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide (CID 55837566) is N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide?
The InChIKey is HCQYBWOZHNXZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3/c1-5-10-27(14(2)16-6-8-18(23)19(24)11-16)13-22(29)26-20-12-17(25-15(3)28)7-9-21(20)30-4/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide has a molecular weight of 452.38 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[1-(3,4-dichlorophenyl)ethyl-propylamino]acetamide is sourced from PubChem (CID 55837566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).