(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide

C21H23N3O — CID 60559194

IUPAC(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nccn1CC(C)CNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-16(15-24-13-12-22-17(24)2)14-23-21(25)11-10-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16H,14-15H2,1-2H3,(H,23,25)/b11-10+
InChIKeyIVMLCYXBZVUMHQ-ZHACJKMWSA-N
MW333.44 g/mol
LogP3.81
Rot. Bonds6

About (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 60559194) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID60559194
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nccn1CC(C)CNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-16(15-24-13-12-22-17(24)2)14-23-21(25)11-10-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16H,14-15H2,1-2H3,(H,23,25)/b11-10+
InChIKeyIVMLCYXBZVUMHQ-ZHACJKMWSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-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

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903
2,6-dimethyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]quinoline-3-carboxamide
CID 94563352
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide (CID 60559194) is (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide is Cc1nccn1CC(C)CNC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is IVMLCYXBZVUMHQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16(15-24-13-12-22-17(24)2)14-23-21(25)11-10-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16H,14-15H2,1-2H3,(H,23,25)/b11-10+.
What are the key properties of (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 60559194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).