2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C23H35N3O5 — CID 6117351

IUPAC2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C23H35N3O5/c1-2-3-4-5-6-7-8-9-10-11-21(27)24-17-22(28)26-25-16-19-12-14-20(15-13-19)31-18-23(29)30/h12-16H,2-11,17-18H2,1H3,(H,24,27)(H,26,28)(H,29,30)/b25-16-
InChIKeyXRUKSTUHJVHAQI-XYGWBWBKSA-N
MW433.55 g/mol
LogP3.64
Rot. Bonds17

About 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6117351) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6117351
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Name2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C23H35N3O5/c1-2-3-4-5-6-7-8-9-10-11-21(27)24-17-22(28)26-25-16-19-12-14-20(15-13-19)31-18-23(29)30/h12-16H,2-11,17-18H2,1H3,(H,24,27)(H,26,28)(H,29,30)/b25-16-
InChIKeyXRUKSTUHJVHAQI-XYGWBWBKSA-N
XLogP3.64
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.64
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-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6382457
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4056292
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6181750
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6117351) is 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is CCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is XRUKSTUHJVHAQI-XYGWBWBKSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-2-3-4-5-6-7-8-9-10-11-21(27)24-17-22(28)26-25-16-19-12-14-20(15-13-19)31-18-23(29)30/h12-16H,2-11,17-18H2,1H3,(H,24,27)(H,26,28)(H,29,30)/b25-16-.
What are the key properties of 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 433.55 g/mol, XLogP of 3.64, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6117351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).