N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide

C14H19N3O3 — CID 108515008

IUPACN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-10(18)11-5-4-6-12(9-11)16-14(20)13(19)15-7-8-17(2)3/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyLBXDZNMXELGUBP-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.51
Rot. Bonds5

About N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide

N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 108515008) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID108515008
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-10(18)11-5-4-6-12(9-11)16-14(20)13(19)15-7-8-17(2)3/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyLBXDZNMXELGUBP-UHFFFAOYSA-N
XLogP0.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943910
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide (CID 108515008) is N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCCN(C)C)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is LBXDZNMXELGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(18)11-5-4-6-12(9-11)16-14(20)13(19)15-7-8-17(2)3/h4-6,9H,7-8H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 277.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 108515008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).