N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide

C23H24N4O5 — CID 102392578

IUPACN-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide
SMILESNCC(=O)NCCC(=O)NCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H24N4O5/c24-13-20(29)26-11-8-19(28)25-9-3-10-27-23(32)14-6-7-17-18(12-14)22(31)16-5-2-1-4-15(16)21(17)30/h1-2,4-7,12H,3,8-11,13,24H2,(H,25,28)(H,26,29)(H,27,32)
InChIKeyKPOPGXOGVLAMQY-UHFFFAOYSA-N
MW436.47 g/mol
LogP0.16
Rot. Bonds9

About N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide

N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide (PubChem CID 102392578) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide
PubChem CID102392578
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide
SMILESNCC(=O)NCCC(=O)NCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H24N4O5/c24-13-20(29)26-11-8-19(28)25-9-3-10-27-23(32)14-6-7-17-18(12-14)22(31)16-5-2-1-4-15(16)21(17)30/h1-2,4-7,12H,3,8-11,13,24H2,(H,25,28)(H,26,29)(H,27,32)
InChIKeyKPOPGXOGVLAMQY-UHFFFAOYSA-N
XLogP0.16
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide?
The IUPAC name of N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide (CID 102392578) is N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide.
What is the SMILES notation for N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide?
The canonical SMILES for N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide is NCC(=O)NCCC(=O)NCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide?
The InChIKey is KPOPGXOGVLAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c24-13-20(29)26-11-8-19(28)25-9-3-10-27-23(32)14-6-7-17-18(12-14)22(31)16-5-2-1-4-15(16)21(17)30/h1-2,4-7,12H,3,8-11,13,24H2,(H,25,28)(H,26,29)(H,27,32).
What are the key properties of N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide?
N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 0.16, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2-aminoacetyl)amino]propanoylamino]propyl]-9,10-dioxoanthracene-2-carboxamide is sourced from PubChem (CID 102392578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).