2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide

C23H20N2O2 — CID 6233859

IUPAC2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C23H20N2O2/c1-2-16-24-23(27)20-12-5-6-13-21(20)25-22(26)15-14-18-10-7-9-17-8-3-4-11-19(17)18/h2-15H,1,16H2,(H,24,27)(H,25,26)/b15-14+
InChIKeyPYVBFHATCRLTRH-CCEZHUSRSA-N
MW356.43 g/mol
LogP4.41
Rot. Bonds6

About 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide

2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 6233859) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
PubChem CID6233859
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C23H20N2O2/c1-2-16-24-23(27)20-12-5-6-13-21(20)25-22(26)15-14-18-10-7-9-17-8-3-4-11-19(17)18/h2-15H,1,16H2,(H,24,27)(H,25,26)/b15-14+
InChIKeyPYVBFHATCRLTRH-CCEZHUSRSA-N
XLogP4.41
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 ≤ 54.41
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

(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
CID 6233444
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
2-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34747616
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenylbenzamide
CID 6122169
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34745108
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
ethyl (E)-4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]but-2-enoate
CID 6233858
2-(3-phenylprop-2-enoylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932681
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234926

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide (CID 6233859) is 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is PYVBFHATCRLTRH-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-16-24-23(27)20-12-5-6-13-21(20)25-22(26)15-14-18-10-7-9-17-8-3-4-11-19(17)18/h2-15H,1,16H2,(H,24,27)(H,25,26)/b15-14+.
What are the key properties of 2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide?
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 4.41, 6 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-prop-2-enylbenzamide is sourced from PubChem (CID 6233859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).