(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

C16H22N2O — CID 106609156

IUPAC(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-18(13-15-9-6-12-17-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3/b11-10+
InChIKeyATGFOLRJUGSCIB-ZHACJKMWSA-N
MW258.37 g/mol
LogP2.30
Rot. Bonds5

About (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 106609156) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID106609156
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-18(13-15-9-6-12-17-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3/b11-10+
InChIKeyATGFOLRJUGSCIB-ZHACJKMWSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 106609156) is (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is CCN(CC1CCCN1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is ATGFOLRJUGSCIB-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(13-15-9-6-12-17-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3/b11-10+.
What are the key properties of (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 258.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106609156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).