(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

C17H24N2O — CID 147874675

IUPAC(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3/b12-9+
InChIKeyHZHDPPRWNOQAER-FMIVXFBMSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds5

About (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (PubChem CID 147874675) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
PubChem CID147874675
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3/b12-9+
InChIKeyHZHDPPRWNOQAER-FMIVXFBMSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (CID 147874675) is (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(N2CCCC2)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The InChIKey is HZHDPPRWNOQAER-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-18(4-2)17(20)12-9-15-7-10-16(11-8-15)19-13-5-6-14-19/h7-12H,3-6,13-14H2,1-2H3/b12-9+.
What are the key properties of (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
(E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 147874675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).