N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide

C18H20N4O3 — CID 108526521

IUPACN'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1cccc(N(C)C)c1)c1cccc(N)c1
InChIInChI=1S/C18H20N4O3/c1-12(23)22(16-9-4-6-13(19)10-16)18(25)17(24)20-14-7-5-8-15(11-14)21(2)3/h4-11H,19H2,1-3H3,(H,20,24)
InChIKeyXYGBQQFBSCFDOX-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.85
Rot. Bonds3

About N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide

N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108526521) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
PubChem CID108526521
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1cccc(N(C)C)c1)c1cccc(N)c1
InChIInChI=1S/C18H20N4O3/c1-12(23)22(16-9-4-6-13(19)10-16)18(25)17(24)20-14-7-5-8-15(11-14)21(2)3/h4-11H,19H2,1-3H3,(H,20,24)
InChIKeyXYGBQQFBSCFDOX-UHFFFAOYSA-N
XLogP1.85
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512765
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide (CID 108526521) is N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide is CC(=O)N(C(=O)C(=O)Nc1cccc(N(C)C)c1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is XYGBQQFBSCFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)22(16-9-4-6-13(19)10-16)18(25)17(24)20-14-7-5-8-15(11-14)21(2)3/h4-11H,19H2,1-3H3,(H,20,24).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 340.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108526521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).