2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide

C34H41N3O3 — CID 162645816

IUPAC2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide
SMILESCC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C34H41N3O3/c1-2-32(27-8-4-3-5-9-27)34(29-12-16-31(17-13-29)40-25-22-36-18-6-7-19-36)28-10-14-30(15-11-28)35-33(38)26-37-20-23-39-24-21-37/h3-5,8-17H,2,6-7,18-26H2,1H3,(H,35,38)/b34-32+
InChIKeyKMGHTTQZILVLHB-NWBJSICCSA-N
MW539.72 g/mol
LogP5.80
Rot. Bonds11

About 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide

2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide (PubChem CID 162645816) has the molecular formula C34H41N3O3 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide
PubChem CID162645816
Molecular FormulaC34H41N3O3
Molecular Weight539.72 g/mol
Exact Mass539.31
IUPAC Name2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide
SMILESCC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C34H41N3O3/c1-2-32(27-8-4-3-5-9-27)34(29-12-16-31(17-13-29)40-25-22-36-18-6-7-19-36)28-10-14-30(15-11-28)35-33(38)26-37-20-23-39-24-21-37/h3-5,8-17H,2,6-7,18-26H2,1H3,(H,35,38)/b34-32+
InChIKeyKMGHTTQZILVLHB-NWBJSICCSA-N
XLogP5.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide (CID 162645816) is 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide is CC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide?
The InChIKey is KMGHTTQZILVLHB-NWBJSICCSA-N. The full InChI is InChI=1S/C34H41N3O3/c1-2-32(27-8-4-3-5-9-27)34(29-12-16-31(17-13-29)40-25-22-36-18-6-7-19-36)28-10-14-30(15-11-28)35-33(38)26-37-20-23-39-24-21-37/h3-5,8-17H,2,6-7,18-26H2,1H3,(H,35,38)/b34-32+.
What are the key properties of 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide has a molecular weight of 539.72 g/mol, XLogP of 5.80, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl]acetamide is sourced from PubChem (CID 162645816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).