3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

C27H22N2O3 — CID 5089375

IUPAC3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C27H22N2O3/c30-26(18-17-22-13-8-12-20-11-4-5-14-23(20)22)28-29-27(31)19-32-25-16-7-6-15-24(25)21-9-2-1-3-10-21/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyYGWWFYOSIVISSM-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.75
Rot. Bonds6

About 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 5089375) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID5089375
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C27H22N2O3/c30-26(18-17-22-13-8-12-20-11-4-5-14-23(20)22)28-29-27(31)19-32-25-16-7-6-15-24(25)21-9-2-1-3-10-21/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyYGWWFYOSIVISSM-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 26840564
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690
(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
CID 26840468
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
N'-[2-(3-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5195318
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (CID 5089375) is 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is YGWWFYOSIVISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-26(18-17-22-13-8-12-20-11-4-5-14-23(20)22)28-29-27(31)19-32-25-16-7-6-15-24(25)21-9-2-1-3-10-21/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 422.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 5089375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).