2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide

C14H19N3O3 — CID 10755005

IUPAC2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N(C1=CC=CC=C1)N(C)C(=O)C
InChIInChI=1S/C14H19N3O3/c1-10(2)15-13(19)14(20)17(16(4)11(3)18)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,19)
InChIKeyDKRCCQQRADBHOZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds2

About 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide

2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide (PubChem CID 10755005) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide
PubChem CID10755005
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N(C1=CC=CC=C1)N(C)C(=O)C
InChIInChI=1S/C14H19N3O3/c1-10(2)15-13(19)14(20)17(16(4)11(3)18)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,19)
InChIKeyDKRCCQQRADBHOZ-UHFFFAOYSA-N
XLogP1.50
TPSA69.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity376

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide (CID 10755005) is 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N(C1=CC=CC=C1)N(C)C(=O)C.
What is the InChIKey of 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is DKRCCQQRADBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(2)15-13(19)14(20)17(16(4)11(3)18)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,19).
What are the key properties of 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide?
2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 10755005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).