N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide

C17H23ClN2O5 — CID 47028925

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C2COCCO2)cc1Cl
InChIInChI=1S/C17H23ClN2O5/c1-3-20(4-2)16(21)11-25-14-6-5-12(9-13(14)18)19-17(22)15-10-23-7-8-24-15/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyMRRYSJIJYPIYRT-UHFFFAOYSA-N
MW370.83 g/mol
LogP1.94
Rot. Bonds7

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 47028925) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
PubChem CID47028925
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)C2COCCO2)cc1Cl
InChIInChI=1S/C17H23ClN2O5/c1-3-20(4-2)16(21)11-25-14-6-5-12(9-13(14)18)19-17(22)15-10-23-7-8-24-15/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyMRRYSJIJYPIYRT-UHFFFAOYSA-N
XLogP1.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120923488
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
CID 64788498
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 39171394
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide (CID 47028925) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide is CCN(CC)C(=O)COc1ccc(NC(=O)C2COCCO2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is MRRYSJIJYPIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O5/c1-3-20(4-2)16(21)11-25-14-6-5-12(9-13(14)18)19-17(22)15-10-23-7-8-24-15/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 370.83 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47028925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).