N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide

C16H15NO2 — CID 101486753

IUPACN-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C\C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c1-11(17-12(2)18)9-16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,17,18)/b11-9-
InChIKeyJSHLLFXDTDOJCO-LUAWRHEFSA-N
MW253.30 g/mol
LogP3.06
Rot. Bonds3

About N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide

N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide (PubChem CID 101486753) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
PubChem CID101486753
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C\C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2/c1-11(17-12(2)18)9-16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,17,18)/b11-9-
InChIKeyJSHLLFXDTDOJCO-LUAWRHEFSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.06
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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Related Compounds

N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
N-(2,2-dibromo-1-naphthalen-2-ylethenyl)acetamide
CID 165179674
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
CID 5377898
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
CID 158715426
(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one
CID 123874564
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide (CID 101486753) is N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide is CC(=O)N/C(C)=C\C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide?
The InChIKey is JSHLLFXDTDOJCO-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(17-12(2)18)9-16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,17,18)/b11-9-.
What are the key properties of N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide?
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide is sourced from PubChem (CID 101486753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).