N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide

C33H43N3O2S — CID 70935246

IUPACN-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
SMILESCCCN(CCCN1CCOCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H43N3O2S/c1-2-20-35(21-12-22-36-24-26-38-27-25-36)23-19-34-32(37)28-39-33(29-13-6-3-7-14-29,30-15-8-4-9-16-30)31-17-10-5-11-18-31/h3-11,13-18H,2,12,19-28H2,1H3,(H,34,37)
InChIKeyBHVGIRBNPKVITO-UHFFFAOYSA-N
MW545.79 g/mol
LogP5.26
Rot. Bonds15

About N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide

N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide (PubChem CID 70935246) has the molecular formula C33H43N3O2S and a molecular weight of 545.79 g/mol. Its IUPAC name is N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
PubChem CID70935246
Molecular FormulaC33H43N3O2S
Molecular Weight545.79 g/mol
Exact Mass545.31
IUPAC NameN-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
SMILESCCCN(CCCN1CCOCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H43N3O2S/c1-2-20-35(21-12-22-36-24-26-38-27-25-36)23-19-34-32(37)28-39-33(29-13-6-3-7-14-29,30-15-8-4-9-16-30)31-17-10-5-11-18-31/h3-11,13-18H,2,12,19-28H2,1H3,(H,34,37)
InChIKeyBHVGIRBNPKVITO-UHFFFAOYSA-N
XLogP5.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-piperidin-1-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide
CID 70935247
N-[2-[3-(4-phenylpiperidin-1-yl)propyl-propylamino]ethyl]-2-tritylsulfanylacetamide
CID 70935238
N-[2-[3-(4-phenylpiperidin-1-yl)propyl-(2-tritylsulfanylethyl)amino]ethyl]-2-tritylsulfanylacetamide
CID 70825484
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
2-[bromomethyl(propyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 89114615
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
2-[6-(4-phenylpiperidin-1-yl)hexyl-(2-tritylsulfanylethyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 89004759
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
S-trityl 2-morpholin-4-ylethanethioate
CID 15780363

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The IUPAC name of N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide (CID 70935246) is N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide.
What is the SMILES notation for N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The canonical SMILES for N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide is CCCN(CCCN1CCOCC1)CCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
The InChIKey is BHVGIRBNPKVITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O2S/c1-2-20-35(21-12-22-36-24-26-38-27-25-36)23-19-34-32(37)28-39-33(29-13-6-3-7-14-29,30-15-8-4-9-16-30)31-17-10-5-11-18-31/h3-11,13-18H,2,12,19-28H2,1H3,(H,34,37).
What are the key properties of N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide?
N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide has a molecular weight of 545.79 g/mol, XLogP of 5.26, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-morpholin-4-ylpropyl(propyl)amino]ethyl]-2-tritylsulfanylacetamide is sourced from PubChem (CID 70935246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).