(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide

C23H22N2O2 — CID 2294598

IUPAC(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C23H22N2O2/c1-17(26)25-22(16-18-8-3-2-4-9-18)23(27)24-15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,16H,14-15H2,1H3,(H,24,27)(H,25,26)/b22-16+
InChIKeyDMXBDUINHPUDNO-CJLVFECKSA-N
MW358.44 g/mol
LogP3.68
Rot. Bonds6

About (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide

(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide (PubChem CID 2294598) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide
PubChem CID2294598
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C23H22N2O2/c1-17(26)25-22(16-18-8-3-2-4-9-18)23(27)24-15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,16H,14-15H2,1H3,(H,24,27)(H,25,26)/b22-16+
InChIKeyDMXBDUINHPUDNO-CJLVFECKSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.68
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

(E)-4-(2-naphthalen-1-ylethylamino)-4-oxobut-2-enoic acid
CID 115177297
[2-[[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073476
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(Z)-2-acetamido-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-phenylprop-2-enamide
CID 9482435
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 42898631
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 132968572
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide (CID 2294598) is (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide is CC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cccc2ccccc12.
What is the InChIKey of (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide?
The InChIKey is DMXBDUINHPUDNO-CJLVFECKSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17(26)25-22(16-18-8-3-2-4-9-18)23(27)24-15-14-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,16H,14-15H2,1H3,(H,24,27)(H,25,26)/b22-16+.
What are the key properties of (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide?
(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2294598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).