N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide

C20H22ClNO3 — CID 55594655

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO3/c1-14(15-3-5-16(21)6-4-15)22(17-7-8-17)20(23)13-25-19-11-9-18(24-2)10-12-19/h3-6,9-12,14,17H,7-8,13H2,1-2H3
InChIKeyXWGBORLKMPTJCQ-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.48
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide (PubChem CID 55594655) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
PubChem CID55594655
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO3/c1-14(15-3-5-16(21)6-4-15)22(17-7-8-17)20(23)13-25-19-11-9-18(24-2)10-12-19/h3-6,9-12,14,17H,7-8,13H2,1-2H3
InChIKeyXWGBORLKMPTJCQ-UHFFFAOYSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55774395
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-[(2-chloroacetyl)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852822
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
CID 78852811
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide (CID 55594655) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide?
The InChIKey is XWGBORLKMPTJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14(15-3-5-16(21)6-4-15)22(17-7-8-17)20(23)13-25-19-11-9-18(24-2)10-12-19/h3-6,9-12,14,17H,7-8,13H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 55594655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).