(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide

C17H24N2O — CID 110301626

IUPAC(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C17H24N2O/c1-14(12-16-8-4-3-5-9-16)17(20)18-13-15(2)19-10-6-7-11-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,18,20)/b14-12+
InChIKeyUEIRXCGNZBZVEF-WYMLVPIESA-N
MW272.39 g/mol
LogP2.69
Rot. Bonds5

About (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide

(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 110301626) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID110301626
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C17H24N2O/c1-14(12-16-8-4-3-5-9-16)17(20)18-13-15(2)19-10-6-7-11-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,18,20)/b14-12+
InChIKeyUEIRXCGNZBZVEF-WYMLVPIESA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.69
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

4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
CID 95289837
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
CID 110305319
2-methyl-2,3-diphenyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301638

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 110301626) is (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCC(C)N1CCCC1.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is UEIRXCGNZBZVEF-WYMLVPIESA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(12-16-8-4-3-5-9-16)17(20)18-13-15(2)19-10-6-7-11-19/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,18,20)/b14-12+.
What are the key properties of (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide?
(E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-(2-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 110301626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).