N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide

C15H16N2O3 — CID 3946330

IUPACN-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C15H16N2O3/c1-8(2)17(9(3)18)13-12(16)14(19)10-6-4-5-7-11(10)15(13)20/h4-8H,16H2,1-3H3
InChIKeyJKPJUKPWIDUMQU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.49
Rot. Bonds2

About N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide

N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide (PubChem CID 3946330) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide
PubChem CID3946330
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide
SMILESCC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C15H16N2O3/c1-8(2)17(9(3)18)13-12(16)14(19)10-6-4-5-7-11(10)15(13)20/h4-8H,16H2,1-3H3
InChIKeyJKPJUKPWIDUMQU-UHFFFAOYSA-N
XLogP1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide (CID 3946330) is N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide is CC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)C(C)C.
What is the InChIKey of N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide?
The InChIKey is JKPJUKPWIDUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8(2)17(9(3)18)13-12(16)14(19)10-6-4-5-7-11(10)15(13)20/h4-8H,16H2,1-3H3.
What are the key properties of N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide?
N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide has a molecular weight of 272.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 3946330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).