2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide

C28H24N2O2 — CID 6233444

IUPAC2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27(18-17-23-13-8-12-22-11-4-5-14-24(22)23)30-26-16-7-6-15-25(26)28(32)29-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,29,32)(H,30,31)/b18-17+
InChIKeyCXFNQCRBGKRMCY-ISLYRVAYSA-N
MW420.51 g/mol
LogP5.46
Rot. Bonds7

About 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide

2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 6233444) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID6233444
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27(18-17-23-13-8-12-22-11-4-5-14-24(22)23)30-26-16-7-6-15-25(26)28(32)29-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,29,32)(H,30,31)/b18-17+
InChIKeyCXFNQCRBGKRMCY-ISLYRVAYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
4-oxo-4-[2-(2-phenylethylcarbamoyl)anilino]but-2-enoic acid
CID 4929672
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenylbenzamide
CID 6122169
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
N-benzyl-N-methyl-2-(3-naphthalen-1-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4937556
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234926
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 17195724
2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 38112777
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
CID 4848241

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide (CID 6233444) is 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide is O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is CXFNQCRBGKRMCY-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27(18-17-23-13-8-12-22-11-4-5-14-24(22)23)30-26-16-7-6-15-25(26)28(32)29-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2,(H,29,32)(H,30,31)/b18-17+.
What are the key properties of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide?
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 6233444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).