N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide

C43H60N4O8 — CID 160658755

IUPACN-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide
SMILESCC=Cc1ccc(-c2ccc(NC(=O)COCCOCC(=O)NCCCC)cc2)cc1.CCCCNC(=O)COCCOCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C25H32N2O4.C18H28N2O4/c1-3-5-15-26-24(28)18-30-16-17-31-19-25(29)27-23-13-11-22(12-14-23)21-9-7-20(6-4-2)8-10-21;1-3-5-9-19-17(21)13-23-10-11-24-14-18(22)20-16-8-6-7-15(4-2)12-16/h4,6-14H,3,5,15-19H2,1-2H3,(H,26,28)(H,27,29);6-8,12H,3-5,9-11,13-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRLJXCRGHDOZXBQ-UHFFFAOYSA-N
MW760.97 g/mol
LogP6.41
Rot. Bonds25

About N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide

N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide (PubChem CID 160658755) has the molecular formula C43H60N4O8 and a molecular weight of 760.97 g/mol. Its IUPAC name is N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide
PubChem CID160658755
Molecular FormulaC43H60N4O8
Molecular Weight760.97 g/mol
Exact Mass760.44
IUPAC NameN-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide
SMILESCC=Cc1ccc(-c2ccc(NC(=O)COCCOCC(=O)NCCCC)cc2)cc1.CCCCNC(=O)COCCOCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C25H32N2O4.C18H28N2O4/c1-3-5-15-26-24(28)18-30-16-17-31-19-25(29)27-23-13-11-22(12-14-23)21-9-7-20(6-4-2)8-10-21;1-3-5-9-19-17(21)13-23-10-11-24-14-18(22)20-16-8-6-7-15(4-2)12-16/h4,6-14H,3,5,15-19H2,1-2H3,(H,26,28)(H,27,29);6-8,12H,3-5,9-11,13-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRLJXCRGHDOZXBQ-UHFFFAOYSA-N
XLogP6.41
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.97
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111239456
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
N-(3-ethylphenyl)decanamide
CID 4053743
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
[2-(3-ethylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946868
N-[2-(tert-butylamino)ethyl]-2-[2-[2-[3-(2-methylpropyl)anilino]-2-oxoethoxy]ethoxy]acetamide
CID 144890144
[2-(3-ethylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996427

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide (CID 160658755) is N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide is CC=Cc1ccc(-c2ccc(NC(=O)COCCOCC(=O)NCCCC)cc2)cc1.CCCCNC(=O)COCCOCC(=O)Nc1cccc(CC)c1.
What is the InChIKey of N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide?
The InChIKey is RLJXCRGHDOZXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4.C18H28N2O4/c1-3-5-15-26-24(28)18-30-16-17-31-19-25(29)27-23-13-11-22(12-14-23)21-9-7-20(6-4-2)8-10-21;1-3-5-9-19-17(21)13-23-10-11-24-14-18(22)20-16-8-6-7-15(4-2)12-16/h4,6-14H,3,5,15-19H2,1-2H3,(H,26,28)(H,27,29);6-8,12H,3-5,9-11,13-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide?
N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide has a molecular weight of 760.97 g/mol, XLogP of 6.41, 25 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-(3-ethylanilino)-2-oxoethoxy]ethoxy]acetamide;N-butyl-2-[2-[2-oxo-2-[4-(4-prop-1-enylphenyl)anilino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 160658755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).