N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide

C12H16N4O3 — CID 43316047

IUPACN'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCCN)c1
InChIInChI=1S/C12H16N4O3/c1-8(17)15-9-3-2-4-10(7-9)16-12(19)11(18)14-6-5-13/h2-4,7H,5-6,13H2,1H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyYGAMQHCDLKLALI-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.34
Rot. Bonds4

About N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide

N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide (PubChem CID 43316047) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
PubChem CID43316047
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCCN)c1
InChIInChI=1S/C12H16N4O3/c1-8(17)15-9-3-2-4-10(7-9)16-12(19)11(18)14-6-5-13/h2-4,7H,5-6,13H2,1H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyYGAMQHCDLKLALI-UHFFFAOYSA-N
XLogP-0.34
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N'-(3-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584781
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide (CID 43316047) is N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCCN)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide?
The InChIKey is YGAMQHCDLKLALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(17)15-9-3-2-4-10(7-9)16-12(19)11(18)14-6-5-13/h2-4,7H,5-6,13H2,1H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide?
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide has a molecular weight of 264.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide is sourced from PubChem (CID 43316047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).