2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate

C22H19N2O5- — CID 7167427

IUPAC2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C22H20N2O5/c1-15(29-20-11-8-17-4-2-3-5-18(17)12-20)22(27)24-23-13-16-6-9-19(10-7-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)/p-1/b23-13-/t15-/m1/s1
InChIKeyMLZLBYHWUDXVEH-KSJDGYIASA-M
MW391.40 g/mol
LogP1.89
Rot. Bonds8

About 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate

2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 7167427) has the molecular formula C22H19N2O5- and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID7167427
Molecular FormulaC22H19N2O5-
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C22H20N2O5/c1-15(29-20-11-8-17-4-2-3-5-18(17)12-20)22(27)24-23-13-16-6-9-19(10-7-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)/p-1/b23-13-/t15-/m1/s1
InChIKeyMLZLBYHWUDXVEH-KSJDGYIASA-M
XLogP1.89
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 3364097
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939956
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
2-[4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989780
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate (CID 7167427) is 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate is C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is MLZLBYHWUDXVEH-KSJDGYIASA-M. The full InChI is InChI=1S/C22H20N2O5/c1-15(29-20-11-8-17-4-2-3-5-18(17)12-20)22(27)24-23-13-16-6-9-19(10-7-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)/p-1/b23-13-/t15-/m1/s1.
What are the key properties of 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 391.40 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 7167427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).