2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide

C16H13N3O3 — CID 10402224

IUPAC2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
SMILESNCC(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13N3O3/c17-7-12(20)19-11-6-5-10(18)13-14(11)16(22)9-4-2-1-3-8(9)15(13)21/h1-6H,7,17-18H2,(H,19,20)
InChIKeyKPDPSCPHTZLGNR-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide

2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 10402224) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID10402224
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
SMILESNCC(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13N3O3/c17-7-12(20)19-11-6-5-10(18)13-14(11)16(22)9-4-2-1-3-8(9)15(13)21/h1-6H,7,17-18H2,(H,19,20)
InChIKeyKPDPSCPHTZLGNR-UHFFFAOYSA-N
XLogP0.94
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
N-(4-amino-9,10-dioxoanthracen-1-yl)-4-butoxybenzamide
CID 102093473
1-amino-4-anilinoanthracene-9,10-dione
CID 20419
N-(4-amino-9,10-dioxoanthracen-1-yl)-4-butylbenzamide
CID 3089345
N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
CID 139789292
CID 157497888
CID 157497888
2-cyclohexyl-N-[4-[4-[(2-cyclohexylacetyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]acetamide
CID 70882631
1-amino-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
CID 142876904
N-[4-[4-[(2-iodoacetyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]propanamide
CID 89062106
1-amino-4-(2,4-dimethylanilino)anthracene-9,10-dione
CID 12609645
2-[[(4-amino-9,10-dioxoanthracen-1-yl)amino]methylidene]propanedinitrile
CID 2737762
3-cyclohexyl-N-[4-[4-(3-cyclohexylpropanoylamino)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]propanamide
CID 70882663

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide (CID 10402224) is 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide is NCC(=O)Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is KPDPSCPHTZLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-7-12(20)19-11-6-5-10(18)13-14(11)16(22)9-4-2-1-3-8(9)15(13)21/h1-6H,7,17-18H2,(H,19,20).
What are the key properties of 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide?
2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 10402224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).