N-ethyl-9,10-dioxoanthracene-2-carboxamide

C17H13NO3 — CID 102014872

IUPACN-ethyl-9,10-dioxoanthracene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO3/c1-2-18-17(21)10-7-8-13-14(9-10)16(20)12-6-4-3-5-11(12)15(13)19/h3-9H,2H2,1H3,(H,18,21)
InChIKeyNOZWVCNUBYRGSY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.21
Rot. Bonds2

About N-ethyl-9,10-dioxoanthracene-2-carboxamide

N-ethyl-9,10-dioxoanthracene-2-carboxamide (PubChem CID 102014872) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-ethyl-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-9,10-dioxoanthracene-2-carboxamide
PubChem CID102014872
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-ethyl-9,10-dioxoanthracene-2-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H13NO3/c1-2-18-17(21)10-7-8-13-14(9-10)16(20)12-6-4-3-5-11(12)15(13)19/h3-9H,2H2,1H3,(H,18,21)
InChIKeyNOZWVCNUBYRGSY-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
CID 122602735
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
CID 60521776
tert-butyl 4-[(9,10-dioxoanthracene-2-carbonyl)amino]butanoate
CID 159141473
N-[9-(4-aminobutylamino)nonyl]-9,10-dioxoanthracene-2-carboxamide
CID 148523711
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
CID 91508010
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of N-ethyl-9,10-dioxoanthracene-2-carboxamide (CID 102014872) is N-ethyl-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for N-ethyl-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for N-ethyl-9,10-dioxoanthracene-2-carboxamide is CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-ethyl-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is NOZWVCNUBYRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-2-18-17(21)10-7-8-13-14(9-10)16(20)12-6-4-3-5-11(12)15(13)19/h3-9H,2H2,1H3,(H,18,21).
What are the key properties of N-ethyl-9,10-dioxoanthracene-2-carboxamide?
N-ethyl-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 102014872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).