7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

C17H26N4O4 — CID 44582799

IUPAC7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCN(C)c1ccc(/C=C/NNC(=O)CCCCCC(=O)NO)c(O)c1
InChIInChI=1S/C17H26N4O4/c1-21(2)14-9-8-13(15(22)12-14)10-11-18-19-16(23)6-4-3-5-7-17(24)20-25/h8-12,18,22,25H,3-7H2,1-2H3,(H,19,23)(H,20,24)/b11-10+
InChIKeyRCSMLUPKYWMMSO-ZHACJKMWSA-N
MW350.42 g/mol
LogP1.51
Rot. Bonds10

About 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (PubChem CID 44582799) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.

Molecular Properties

Compound Name7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
PubChem CID44582799
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESCN(C)c1ccc(/C=C/NNC(=O)CCCCCC(=O)NO)c(O)c1
InChIInChI=1S/C17H26N4O4/c1-21(2)14-9-8-13(15(22)12-14)10-11-18-19-16(23)6-4-3-5-7-17(24)20-25/h8-12,18,22,25H,3-7H2,1-2H3,(H,19,23)(H,20,24)/b11-10+
InChIKeyRCSMLUPKYWMMSO-ZHACJKMWSA-N
XLogP1.51
TPSA113.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The IUPAC name of 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (CID 44582799) is 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.
What is the SMILES notation for 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The canonical SMILES for 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is CN(C)c1ccc(/C=C/NNC(=O)CCCCCC(=O)NO)c(O)c1.
What is the InChIKey of 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The InChIKey is RCSMLUPKYWMMSO-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-21(2)14-9-8-13(15(22)12-14)10-11-18-19-16(23)6-4-3-5-7-17(24)20-25/h8-12,18,22,25H,3-7H2,1-2H3,(H,19,23)(H,20,24)/b11-10+.
What are the key properties of 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide has a molecular weight of 350.42 g/mol, XLogP of 1.51, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-[4-(dimethylamino)-2-hydroxyphenyl]ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is sourced from PubChem (CID 44582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).