N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide

C17H26ClN3O3 — CID 8692956

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-4-21(5-2)17(23)13-20(3)12-16(22)19-10-11-24-15-8-6-14(18)7-9-15/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyVDGKDZYANILKPH-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.64
Rot. Bonds10

About N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8692956) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8692956
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3/c1-4-21(5-2)17(23)13-20(3)12-16(22)19-10-11-24-15-8-6-14(18)7-9-15/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyVDGKDZYANILKPH-UHFFFAOYSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 8971820
N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide (CID 8692956) is N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide is CCN(CC)C(=O)CN(C)CC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VDGKDZYANILKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-4-21(5-2)17(23)13-20(3)12-16(22)19-10-11-24-15-8-6-14(18)7-9-15/h6-9H,4-5,10-13H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 355.87 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8692956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).