2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide

C18H17N3O3 — CID 151800903

IUPAC2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide
SMILESCNCC(=O)Nc1cccc2c1C(=O)c1ccc(NC)cc1C2=O
InChIInChI=1S/C18H17N3O3/c1-19-9-15(22)21-14-5-3-4-12-16(14)18(24)11-7-6-10(20-2)8-13(11)17(12)23/h3-8,19-20H,9H2,1-2H3,(H,21,22)
InChIKeyRYPASAWWNPTAIZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.66
Rot. Bonds4

About 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide

2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide (PubChem CID 151800903) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide
PubChem CID151800903
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide
SMILESCNCC(=O)Nc1cccc2c1C(=O)c1ccc(NC)cc1C2=O
InChIInChI=1S/C18H17N3O3/c1-19-9-15(22)21-14-5-3-4-12-16(14)18(24)11-7-6-10(20-2)8-13(11)17(12)23/h3-8,19-20H,9H2,1-2H3,(H,21,22)
InChIKeyRYPASAWWNPTAIZ-UHFFFAOYSA-N
XLogP1.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
7-chloro-1-(methylamino)anthracene-9,10-dione
CID 71399366
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918639
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131839
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
methyl (2R)-2-[[2-[[8-[[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 46244695
6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide (CID 151800903) is 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide is CNCC(=O)Nc1cccc2c1C(=O)c1ccc(NC)cc1C2=O.
What is the InChIKey of 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide?
The InChIKey is RYPASAWWNPTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-19-9-15(22)21-14-5-3-4-12-16(14)18(24)11-7-6-10(20-2)8-13(11)17(12)23/h3-8,19-20H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide?
2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide is sourced from PubChem (CID 151800903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).