4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide

C20H30F2N2O4 — CID 43046344

IUPAC4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(OC(F)F)c(OC)c1)N1CCOCC1
InChIInChI=1S/C20H30F2N2O4/c1-4-14(5-2)16(24-8-10-27-11-9-24)13-23-19(25)15-6-7-17(28-20(21)22)18(12-15)26-3/h6-7,12,14,16,20H,4-5,8-11,13H2,1-3H3,(H,23,25)
InChIKeyVJXLONVSUFKAJL-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.16
Rot. Bonds10

About 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide (PubChem CID 43046344) has the molecular formula C20H30F2N2O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
PubChem CID43046344
Molecular FormulaC20H30F2N2O4
Molecular Weight400.47 g/mol
Exact Mass400.22
IUPAC Name4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(OC(F)F)c(OC)c1)N1CCOCC1
InChIInChI=1S/C20H30F2N2O4/c1-4-14(5-2)16(24-8-10-27-11-9-24)13-23-19(25)15-6-7-17(28-20(21)22)18(12-15)26-3/h6-7,12,14,16,20H,4-5,8-11,13H2,1-3H3,(H,23,25)
InChIKeyVJXLONVSUFKAJL-UHFFFAOYSA-N
XLogP3.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55348277
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 55548898
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide (CID 43046344) is 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide is CCC(CC)C(CNC(=O)c1ccc(OC(F)F)c(OC)c1)N1CCOCC1.
What is the InChIKey of 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide?
The InChIKey is VJXLONVSUFKAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O4/c1-4-14(5-2)16(24-8-10-27-11-9-24)13-23-19(25)15-6-7-17(28-20(21)22)18(12-15)26-3/h6-7,12,14,16,20H,4-5,8-11,13H2,1-3H3,(H,23,25).
What are the key properties of 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide has a molecular weight of 400.47 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide is sourced from PubChem (CID 43046344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).