7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid

C16H22N2O5 — CID 23864469

IUPAC7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(OCCO)cc1
InChIInChI=1S/C16H22N2O5/c19-10-11-23-14-8-6-13(7-9-14)12-17-18-15(20)4-2-1-3-5-16(21)22/h6-9,12,19H,1-5,10-11H2,(H,18,20)(H,21,22)/b17-12+
InChIKeyURXUCMPJXXVRLR-SFQUDFHCSA-N
MW322.36 g/mol
LogP1.54
Rot. Bonds11

About 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid

7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid (PubChem CID 23864469) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
PubChem CID23864469
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(OCCO)cc1
InChIInChI=1S/C16H22N2O5/c19-10-11-23-14-8-6-13(7-9-14)12-17-18-15(20)4-2-1-3-5-16(21)22/h6-9,12,19H,1-5,10-11H2,(H,18,20)(H,21,22)/b17-12+
InChIKeyURXUCMPJXXVRLR-SFQUDFHCSA-N
XLogP1.54
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-[4-(2-hydroxyethoxy)phenyl]methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506469
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
8-oxo-8-[(2E)-2-[(4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]octanoic acid
CID 23902604
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid?
The IUPAC name of 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid (CID 23864469) is 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid?
The canonical SMILES for 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)N/N=C/c1ccc(OCCO)cc1.
What is the InChIKey of 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid?
The InChIKey is URXUCMPJXXVRLR-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-10-11-23-14-8-6-13(7-9-14)12-17-18-15(20)4-2-1-3-5-16(21)22/h6-9,12,19H,1-5,10-11H2,(H,18,20)(H,21,22)/b17-12+.
What are the key properties of 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid?
7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid has a molecular weight of 322.36 g/mol, XLogP of 1.54, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid is sourced from PubChem (CID 23864469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).