N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide

C22H22N2O5 — CID 102264049

IUPACN'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H22N2O5/c1-2-3-4-12-18(25)23-24-19(26)13-29-17-11-7-10-16-20(17)22(28)15-9-6-5-8-14(15)21(16)27/h5-11H,2-4,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyAAELLQHOUGMYJK-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.57
Rot. Bonds7

About N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide

N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide (PubChem CID 102264049) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide.

Molecular Properties

Compound NameN'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
PubChem CID102264049
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
SMILESCCCCCC(=O)NNC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H22N2O5/c1-2-3-4-12-18(25)23-24-19(26)13-29-17-11-7-10-16-20(17)22(28)15-9-6-5-8-14(15)21(16)27/h5-11H,2-4,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyAAELLQHOUGMYJK-UHFFFAOYSA-N
XLogP2.57
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
1-[(E)-hex-2-enoxy]anthracene-9,10-dione
CID 15716447
N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]octanamide
CID 4959020
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714

Frequently Asked Questions

What is the IUPAC name of N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide?
The IUPAC name of N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide (CID 102264049) is N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide.
What is the SMILES notation for N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide?
The canonical SMILES for N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide is CCCCCC(=O)NNC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide?
The InChIKey is AAELLQHOUGMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-3-4-12-18(25)23-24-19(26)13-29-17-11-7-10-16-20(17)22(28)15-9-6-5-8-14(15)21(16)27/h5-11H,2-4,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide?
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide has a molecular weight of 394.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide is sourced from PubChem (CID 102264049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).