N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide

C23H20N2O2 — CID 20834582

IUPACN-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
SMILESC=CCNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-15-24-23(27)21(25-22(26)18-10-4-3-5-11-18)16-19-13-8-12-17-9-6-7-14-20(17)19/h2-14,16H,1,15H2,(H,24,27)(H,25,26)/b21-16-
InChIKeySSOOEXBBPHSOTK-PGMHBOJBSA-N
MW356.43 g/mol
LogP3.91
Rot. Bonds6

About N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide (PubChem CID 20834582) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
PubChem CID20834582
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
SMILESC=CCNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-15-24-23(27)21(25-22(26)18-10-4-3-5-11-18)16-19-13-8-12-17-9-6-7-14-20(17)19/h2-14,16H,1,15H2,(H,24,27)(H,25,26)/b21-16-
InChIKeySSOOEXBBPHSOTK-PGMHBOJBSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-[3-oxo-3-(prop-2-enylamino)-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide
CID 78414565
N-[1-[4-(dimethylamino)phenyl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 3093528
N-[(Z)-3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 92910310
N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2836680
methyl (2S)-2-[[(Z)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]propanoate
CID 12044309
N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 4914109
N-[(Z)-1-(2-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6516961
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(3-phenacylsulfanylanilino)prop-1-en-2-yl]benzamide
CID 19301486
N-[3-(4-methylpiperazin-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2875560
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide (CID 20834582) is N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide is C=CCNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
The InChIKey is SSOOEXBBPHSOTK-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-15-24-23(27)21(25-22(26)18-10-4-3-5-11-18)16-19-13-8-12-17-9-6-7-14-20(17)19/h2-14,16H,1,15H2,(H,24,27)(H,25,26)/b21-16-.
What are the key properties of N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 20834582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).