(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide

C18H20N2O2 — CID 101112903

IUPAC(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide
SMILESCC(=O)N/C(=C/c1cccc2ccccc12)C(=O)NC(C)C
InChIInChI=1S/C18H20N2O2/c1-12(2)19-18(22)17(20-13(3)21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,1-3H3,(H,19,22)(H,20,21)/b17-11+
InChIKeyCBVNDHWPHLJIIM-GZTJUZNOSA-N
MW296.37 g/mol
LogP2.84
Rot. Bonds4

About (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide

(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide (PubChem CID 101112903) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide
PubChem CID101112903
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide
SMILESCC(=O)N/C(=C/c1cccc2ccccc12)C(=O)NC(C)C
InChIInChI=1S/C18H20N2O2/c1-12(2)19-18(22)17(20-13(3)21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,1-3H3,(H,19,22)(H,20,21)/b17-11+
InChIKeyCBVNDHWPHLJIIM-GZTJUZNOSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide
CID 101112904
methyl (2S)-2-[[(Z)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]propanoate
CID 12044309
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
N-[(Z)-1-(2-methoxyphenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20835181
N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide
CID 7967026
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 20834582
1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
(E)-2-acetamido-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-enamide
CID 2294598
(2R)-2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
CID 2297740

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide (CID 101112903) is (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide is CC(=O)N/C(=C/c1cccc2ccccc12)C(=O)NC(C)C.
What is the InChIKey of (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide?
The InChIKey is CBVNDHWPHLJIIM-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)19-18(22)17(20-13(3)21)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-12H,1-3H3,(H,19,22)(H,20,21)/b17-11+.
What are the key properties of (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide?
(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 101112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).