N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide

C26H19NO2 — CID 5377898

IUPACN-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
SMILESO=C(/C=C(/NC(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H19NO2/c28-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)27-26(29)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H,(H,27,29)/b24-18+
InChIKeyKUTSUHIQGNMYAV-HKOYGPOVSA-N
MW377.44 g/mol
LogP5.49
Rot. Bonds5

About N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide

N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide (PubChem CID 5377898) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
PubChem CID5377898
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC NameN-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
SMILESO=C(/C=C(/NC(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H19NO2/c28-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)27-26(29)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H,(H,27,29)/b24-18+
InChIKeyKUTSUHIQGNMYAV-HKOYGPOVSA-N
XLogP5.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.49
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

(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
(Z)-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylprop-2-enoic acid
CID 71054545
N-(2-hydroxybenzoyl)naphthalene-2-carboxamide
CID 57386028
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
CID 158715426
ethane;naphthalene-2-carbohydrazide
CID 91601372
(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
CID 177400988

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide (CID 5377898) is N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide is O=C(/C=C(/NC(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide?
The InChIKey is KUTSUHIQGNMYAV-HKOYGPOVSA-N. The full InChI is InChI=1S/C26H19NO2/c28-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)27-26(29)23-16-15-19-9-7-8-14-22(19)17-23/h1-18H,(H,27,29)/b24-18+.
What are the key properties of N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide?
N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide is sourced from PubChem (CID 5377898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).