(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide

C24H25NO — CID 42701074

IUPAC(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccccc1)CC1CC2C=CC1C2
InChIInChI=1S/C24H25NO/c26-24(14-12-19-7-3-1-4-8-19)25(17-20-9-5-2-6-10-20)18-23-16-21-11-13-22(23)15-21/h1-14,21-23H,15-18H2/b14-12+
InChIKeyLXFMUKJVGYHTFB-WYMLVPIESA-N
MW343.47 g/mol
LogP4.94
Rot. Bonds6

About (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide

(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide (PubChem CID 42701074) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
PubChem CID42701074
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(Cc1ccccc1)CC1CC2C=CC1C2
InChIInChI=1S/C24H25NO/c26-24(14-12-19-7-3-1-4-8-19)25(17-20-9-5-2-6-10-20)18-23-16-21-11-13-22(23)15-21/h1-14,21-23H,15-18H2/b14-12+
InChIKeyLXFMUKJVGYHTFB-WYMLVPIESA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 154477095
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide
CID 135038482
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
[2-(dibenzylamino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23740509

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide (CID 42701074) is (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(Cc1ccccc1)CC1CC2C=CC1C2.
What is the InChIKey of (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide?
The InChIKey is LXFMUKJVGYHTFB-WYMLVPIESA-N. The full InChI is InChI=1S/C24H25NO/c26-24(14-12-19-7-3-1-4-8-19)25(17-20-9-5-2-6-10-20)18-23-16-21-11-13-22(23)15-21/h1-14,21-23H,15-18H2/b14-12+.
What are the key properties of (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide?
(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide has a molecular weight of 343.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 42701074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).