N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide

C25H28N8O5 — CID 11318367

IUPACN-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide
SMILESO=C(CCCCCC(=O)N(CC(=O)Nc1ccc2[nH]ncc2c1)CC(=O)Nc1ccc2[nH]ncc2c1)NO
InChIInChI=1S/C25H28N8O5/c34-22(32-38)4-2-1-3-5-25(37)33(14-23(35)28-18-6-8-20-16(10-18)12-26-30-20)15-24(36)29-19-7-9-21-17(11-19)13-27-31-21/h6-13,38H,1-5,14-15H2,(H,26,30)(H,27,31)(H,28,35)(H,29,36)(H,32,34)
InChIKeyRXZWNENIWFABET-UHFFFAOYSA-N
MW520.55 g/mol
LogP2.30
Rot. Bonds12

About N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide

N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide (PubChem CID 11318367) has the molecular formula C25H28N8O5 and a molecular weight of 520.55 g/mol. Its IUPAC name is N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide.

Molecular Properties

Compound NameN-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide
PubChem CID11318367
Molecular FormulaC25H28N8O5
Molecular Weight520.55 g/mol
Exact Mass520.22
IUPAC NameN-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide
SMILESO=C(CCCCCC(=O)N(CC(=O)Nc1ccc2[nH]ncc2c1)CC(=O)Nc1ccc2[nH]ncc2c1)NO
InChIInChI=1S/C25H28N8O5/c34-22(32-38)4-2-1-3-5-25(37)33(14-23(35)28-18-6-8-20-16(10-18)12-26-30-20)15-24(36)29-19-7-9-21-17(11-19)13-27-31-21/h6-13,38H,1-5,14-15H2,(H,26,30)(H,27,31)(H,28,35)(H,29,36)(H,32,34)
InChIKeyRXZWNENIWFABET-UHFFFAOYSA-N
XLogP2.30
TPSA185.20 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 52.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide?
The IUPAC name of N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide (CID 11318367) is N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide.
What is the SMILES notation for N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide?
The canonical SMILES for N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide is O=C(CCCCCC(=O)N(CC(=O)Nc1ccc2[nH]ncc2c1)CC(=O)Nc1ccc2[nH]ncc2c1)NO.
What is the InChIKey of N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide?
The InChIKey is RXZWNENIWFABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O5/c34-22(32-38)4-2-1-3-5-25(37)33(14-23(35)28-18-6-8-20-16(10-18)12-26-30-20)15-24(36)29-19-7-9-21-17(11-19)13-27-31-21/h6-13,38H,1-5,14-15H2,(H,26,30)(H,27,31)(H,28,35)(H,29,36)(H,32,34).
What are the key properties of N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide?
N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide has a molecular weight of 520.55 g/mol, XLogP of 2.30, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N',N'-bis[2-(1H-indazol-5-ylamino)-2-oxoethyl]heptanediamide is sourced from PubChem (CID 11318367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).