N-(9,10-dioxoanthracen-2-yl)acetamide;ethane

C18H17NO3 — CID 143974024

IUPACN-(9,10-dioxoanthracen-2-yl)acetamide;ethane
SMILESCC.CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3.C2H6/c1-9(18)17-10-6-7-13-14(8-10)16(20)12-5-3-2-4-11(12)15(13)19;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyPUCKDOUGNAJWBG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.45
Rot. Bonds1

About N-(9,10-dioxoanthracen-2-yl)acetamide;ethane

N-(9,10-dioxoanthracen-2-yl)acetamide;ethane (PubChem CID 143974024) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)acetamide;ethane
PubChem CID143974024
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(9,10-dioxoanthracen-2-yl)acetamide;ethane
SMILESCC.CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H11NO3.C2H6/c1-9(18)17-10-6-7-13-14(8-10)16(20)12-5-3-2-4-11(12)15(13)19;1-2/h2-8H,1H3,(H,17,18);1-2H3
InChIKeyPUCKDOUGNAJWBG-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.45
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

N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4855145
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 8759898
1-(9,10-dioxoanthracen-2-yl)-3-(4-methylphenyl)thiourea
CID 118133668
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] butanoate
CID 7796781
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018793
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920161
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920165
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259042

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)acetamide;ethane?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)acetamide;ethane (CID 143974024) is N-(9,10-dioxoanthracen-2-yl)acetamide;ethane.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)acetamide;ethane?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)acetamide;ethane is CC.CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)acetamide;ethane?
The InChIKey is PUCKDOUGNAJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3.C2H6/c1-9(18)17-10-6-7-13-14(8-10)16(20)12-5-3-2-4-11(12)15(13)19;1-2/h2-8H,1H3,(H,17,18);1-2H3.
What are the key properties of N-(9,10-dioxoanthracen-2-yl)acetamide;ethane?
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane has a molecular weight of 295.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)acetamide;ethane is sourced from PubChem (CID 143974024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).