(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide

C20H30N2O2 — CID 11232788

IUPAC(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C(=C\C1CCCN1)c1ccc(OC)cc1
InChIInChI=1S/C20H30N2O2/c1-4-13-22(14-5-2)20(23)19(15-17-7-6-12-21-17)16-8-10-18(24-3)11-9-16/h8-11,15,17,21H,4-7,12-14H2,1-3H3/b19-15-
InChIKeyGSGJEFRVMPMJPF-CYVLTUHYSA-N
MW330.47 g/mol
LogP3.48
Rot. Bonds8

About (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide

(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide (PubChem CID 11232788) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide
PubChem CID11232788
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C(=C\C1CCCN1)c1ccc(OC)cc1
InChIInChI=1S/C20H30N2O2/c1-4-13-22(14-5-2)20(23)19(15-17-7-6-12-21-17)16-8-10-18(24-3)11-9-16/h8-11,15,17,21H,4-7,12-14H2,1-3H3/b19-15-
InChIKeyGSGJEFRVMPMJPF-CYVLTUHYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide (CID 11232788) is (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide is CCCN(CCC)C(=O)/C(=C\C1CCCN1)c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide?
The InChIKey is GSGJEFRVMPMJPF-CYVLTUHYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-13-22(14-5-2)20(23)19(15-17-7-6-12-21-17)16-8-10-18(24-3)11-9-16/h8-11,15,17,21H,4-7,12-14H2,1-3H3/b19-15-.
What are the key properties of (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide?
(Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide has a molecular weight of 330.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-N,N-dipropyl-3-pyrrolidin-2-ylprop-2-enamide is sourced from PubChem (CID 11232788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).