N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide

C19H17NO2 — CID 6142841

IUPACN-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(21)20-17-10-6-14(7-11-17)12-16-9-8-15-4-2-3-5-18(15)19(16)22/h2-7,10-12H,8-9H2,1H3,(H,20,21)/b16-12+
InChIKeyRERQTUGPOVUEME-FOWTUZBSSA-N
MW291.35 g/mol
LogP3.86
Rot. Bonds2

About N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide (PubChem CID 6142841) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
PubChem CID6142841
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(21)20-17-10-6-14(7-11-17)12-16-9-8-15-4-2-3-5-18(15)19(16)22/h2-7,10-12H,8-9H2,1H3,(H,20,21)/b16-12+
InChIKeyRERQTUGPOVUEME-FOWTUZBSSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide (CID 6142841) is N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\CCc3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The InChIKey is RERQTUGPOVUEME-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(21)20-17-10-6-14(7-11-17)12-16-9-8-15-4-2-3-5-18(15)19(16)22/h2-7,10-12H,8-9H2,1H3,(H,20,21)/b16-12+.
What are the key properties of N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 6142841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).