(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide

C17H24N2O2 — CID 82177024

IUPAC(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)N(C)C1CCNC1
InChIInChI=1S/C17H24N2O2/c1-3-12-21-16-7-5-4-6-14(16)8-9-17(20)19(2)15-10-11-18-13-15/h4-9,15,18H,3,10-13H2,1-2H3/b9-8+
InChIKeyGMWHEUKRTIZUKO-CMDGGOBGSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds6

About (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide

(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide (PubChem CID 82177024) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
PubChem CID82177024
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)N(C)C1CCNC1
InChIInChI=1S/C17H24N2O2/c1-3-12-21-16-7-5-4-6-14(16)8-9-17(20)19(2)15-10-11-18-13-15/h4-9,15,18H,3,10-13H2,1-2H3/b9-8+
InChIKeyGMWHEUKRTIZUKO-CMDGGOBGSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(2-nitrophenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 76994737
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 129408081
2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
3-(1,3-benzodioxol-5-yl)-N-methyl-N-pyrrolidin-3-ylprop-2-enamide
CID 76994725
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide (CID 82177024) is (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide is CCCOc1ccccc1/C=C/C(=O)N(C)C1CCNC1.
What is the InChIKey of (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The InChIKey is GMWHEUKRTIZUKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-12-21-16-7-5-4-6-14(16)8-9-17(20)19(2)15-10-11-18-13-15/h4-9,15,18H,3,10-13H2,1-2H3/b9-8+.
What are the key properties of (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide is sourced from PubChem (CID 82177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).