(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide

C22H26N2O — CID 20560075

IUPAC(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESCCN1CCCCC1c1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-24-17-9-8-14-21(24)19-12-6-7-13-20(19)23-22(25)16-15-18-10-4-3-5-11-18/h3-7,10-13,15-16,21H,2,8-9,14,17H2,1H3,(H,23,25)/b16-15+
InChIKeyIDXXZJIMOLGJGD-FOCLMDBBSA-N
MW334.46 g/mol
LogP4.89
Rot. Bonds5

About (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 20560075) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID20560075
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESCCN1CCCCC1c1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-24-17-9-8-14-21(24)19-12-6-7-13-20(19)23-22(25)16-15-18-10-4-3-5-11-18/h3-7,10-13,15-16,21H,2,8-9,14,17H2,1H3,(H,23,25)/b16-15+
InChIKeyIDXXZJIMOLGJGD-FOCLMDBBSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.89
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

(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
(E)-3-phenyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
CID 1300388
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
2-[[(E)-3-(4-propylphenyl)prop-2-enoyl]amino]benzoic acid
CID 11573155
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide (CID 20560075) is (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide is CCN1CCCCC1c1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is IDXXZJIMOLGJGD-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-24-17-9-8-14-21(24)19-12-6-7-13-20(19)23-22(25)16-15-18-10-4-3-5-11-18/h3-7,10-13,15-16,21H,2,8-9,14,17H2,1H3,(H,23,25)/b16-15+.
What are the key properties of (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 334.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-ethylpiperidin-2-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 20560075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).