2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide

C22H29N3O3 — CID 8692739

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)16-24(4)15-21(26)23-18-9-13-20(14-10-18)28-19-11-7-17(3)8-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,23,26)
InChIKeyQWFCIJAHOWOQAD-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.53
Rot. Bonds9

About 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide (PubChem CID 8692739) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide
PubChem CID8692739
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)16-24(4)15-21(26)23-18-9-13-20(14-10-18)28-19-11-7-17(3)8-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,23,26)
InChIKeyQWFCIJAHOWOQAD-UHFFFAOYSA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18197658
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785624
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785766
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817215
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 8692437
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8692101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide (CID 8692739) is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide is CCN(CC)C(=O)CN(C)CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is QWFCIJAHOWOQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-25(6-2)22(27)16-24(4)15-21(26)23-18-9-13-20(14-10-18)28-19-11-7-17(3)8-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,23,26).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide?
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 8692739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).