(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide

C17H24N2O2 — CID 6295221

IUPAC(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-8-5-15(6-9-16)7-10-17(20)18-11-4-14-19-12-2-3-13-19/h5-10H,2-4,11-14H2,1H3,(H,18,20)/b10-7+
InChIKeyPCDAKEBTQNITDH-JXMROGBWSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds7

About (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 6295221) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID6295221
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-8-5-15(6-9-16)7-10-17(20)18-11-4-14-19-12-2-3-13-19/h5-10H,2-4,11-14H2,1H3,(H,18,20)/b10-7+
InChIKeyPCDAKEBTQNITDH-JXMROGBWSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
Tmppaa
CID 889955
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
1-(m-Methoxycinnamoyl)pyrrolidine
CID 5373710
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
3-(2-Aminoethyl)-5-[(4-ethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 3377241
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
N-bicyclo[2.2.1]hept-2-yl-3-(4-methoxyphenyl)acrylamide
CID 5350473
(2E)-3-(3,4-dimethoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
CID 1537537
Cinnamamide, N-allyl-3,4-dimethoxy-
CID 1591527
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
CID 2360210

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 6295221) is (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCCN2CCCC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is PCDAKEBTQNITDH-JXMROGBWSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-8-5-15(6-9-16)7-10-17(20)18-11-4-14-19-12-2-3-13-19/h5-10H,2-4,11-14H2,1H3,(H,18,20)/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 6295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).