N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide

C17H14N2O4 — CID 3019962

IUPACN-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
SMILESCOc1cc(NC(C)=O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySVFPILGVWYPIDO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.01
Rot. Bonds2

About N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide

N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 3019962) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID3019962
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
SMILESCOc1cc(NC(C)=O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeySVFPILGVWYPIDO-UHFFFAOYSA-N
XLogP2.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
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

1-amino-2-methoxy-4-(1,3-thiazol-2-ylamino)anthracene-9,10-dione
CID 71384876
2-[2-[(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)amino]benzoyl]oxyethyl-dimethylazanium
CID 158871904
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960
N-(4-bromo-2-methoxy-9,10-dioxoanthracen-1-yl)acetamide
CID 154173793
N-(4-amino-3-nitro-9,10-dioxoanthracen-1-yl)-2-methylprop-2-enamide
CID 89029353
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
CID 13380581
1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
CID 59448190
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
N-(4-bromo-1-methyl-9,10-dioxoanthracen-2-yl)acetamide
CID 70367157
4-(3-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
CID 23466350
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide (CID 3019962) is N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide is COc1cc(NC(C)=O)c2c(c1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is SVFPILGVWYPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide?
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 3019962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).