3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide

C24H28N4O4 — CID 10574941

IUPAC3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1C2=O
InChIInChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)24(32)20-14-16(6-8-18(20)23(17)31)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyJIMGGRBZTYNLQQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.24
Rot. Bonds8

About 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide

3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide (PubChem CID 10574941) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
PubChem CID10574941
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1C2=O
InChIInChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)24(32)20-14-16(6-8-18(20)23(17)31)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyJIMGGRBZTYNLQQ-UHFFFAOYSA-N
XLogP2.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide (CID 10574941) is 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide is CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1C2=O.
What is the InChIKey of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide?
The InChIKey is JIMGGRBZTYNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)24(32)20-14-16(6-8-18(20)23(17)31)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide?
3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide has a molecular weight of 436.51 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[7-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide is sourced from PubChem (CID 10574941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).