(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide

C24H26N2O — CID 15983824

IUPAC(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide
SMILESCN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O/c1-26(2)17-16-23(22-14-13-20-10-6-7-11-21(20)18-22)25-24(27)15-12-19-8-4-3-5-9-19/h3-15,18,23H,16-17H2,1-2H3,(H,25,27)/b15-12+
InChIKeyTWEHNYKGYPOPRW-NTCAYCPXSA-N
MW358.49 g/mol
LogP4.66
Rot. Bonds7

About (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide

(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide (PubChem CID 15983824) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide
PubChem CID15983824
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide
SMILESCN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O/c1-26(2)17-16-23(22-14-13-20-10-6-7-11-21(20)18-22)25-24(27)15-12-19-8-4-3-5-9-19/h3-15,18,23H,16-17H2,1-2H3,(H,25,27)/b15-12+
InChIKeyTWEHNYKGYPOPRW-NTCAYCPXSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
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Substituted Benzamide Derivative, 2
CID 44236114
N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
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CID 73659186

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide (CID 15983824) is (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide is CN(C)CCC(NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide?
The InChIKey is TWEHNYKGYPOPRW-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H26N2O/c1-26(2)17-16-23(22-14-13-20-10-6-7-11-21(20)18-22)25-24(27)15-12-19-8-4-3-5-9-19/h3-15,18,23H,16-17H2,1-2H3,(H,25,27)/b15-12+.
What are the key properties of (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide?
(E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 15983824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).