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

C17H24N2O2 — CID 106611607

IUPAC(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-21-13-12-19(14-16-8-5-11-18-16)17(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,9-10,16,18H,5,8,11-14H2,1H3/b10-9+
InChIKeyJCLBRBYVDVQGRE-MDZDMXLPSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds7

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

(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 106611607) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID106611607
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(CC1CCCN1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-21-13-12-19(14-16-8-5-11-18-16)17(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,9-10,16,18H,5,8,11-14H2,1H3/b10-9+
InChIKeyJCLBRBYVDVQGRE-MDZDMXLPSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 106611607) is (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is COCCN(CC1CCCN1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is JCLBRBYVDVQGRE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-13-12-19(14-16-8-5-11-18-16)17(20)10-9-15-6-3-2-4-7-15/h2-4,6-7,9-10,16,18H,5,8,11-14H2,1H3/b10-9+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106611607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).