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

C34H41N3O4 — CID 162658904

IUPAC2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide
SMILESCC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C34H41N3O4/c1-2-32(27-6-4-3-5-7-27)34(29-10-14-31(15-11-29)41-25-20-36-16-21-39-22-17-36)28-8-12-30(13-9-28)35-33(38)26-37-18-23-40-24-19-37/h3-15H,2,16-26H2,1H3,(H,35,38)/b34-32+
InChIKeyQMAKCCHKFDWZQM-NWBJSICCSA-N
MW555.72 g/mol
LogP5.04
Rot. Bonds11

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

2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide (PubChem CID 162658904) has the molecular formula C34H41N3O4 and a molecular weight of 555.72 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide
PubChem CID162658904
Molecular FormulaC34H41N3O4
Molecular Weight555.72 g/mol
Exact Mass555.31
IUPAC Name2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide
SMILESCC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C34H41N3O4/c1-2-32(27-6-4-3-5-7-27)34(29-10-14-31(15-11-29)41-25-20-36-16-21-39-22-17-36)28-8-12-30(13-9-28)35-33(38)26-37-18-23-40-24-19-37/h3-15H,2,16-26H2,1H3,(H,35,38)/b34-32+
InChIKeyQMAKCCHKFDWZQM-NWBJSICCSA-N
XLogP5.04
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 9259667
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(oxetan-3-yl)acetamide
CID 167978203
4-[(Z)-2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]but-1-enyl]phenol;hydrochloride
CID 146566701

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide (CID 162658904) is 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide is CC/C(=C(/c1ccc(NC(=O)CN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide?
The InChIKey is QMAKCCHKFDWZQM-NWBJSICCSA-N. The full InChI is InChI=1S/C34H41N3O4/c1-2-32(27-6-4-3-5-7-27)34(29-10-14-31(15-11-29)41-25-20-36-16-21-39-22-17-36)28-8-12-30(13-9-28)35-33(38)26-37-18-23-40-24-19-37/h3-15H,2,16-26H2,1H3,(H,35,38)/b34-32+.
What are the key properties of 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide has a molecular weight of 555.72 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenyl]acetamide is sourced from PubChem (CID 162658904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).