ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide

C41H88F3N3O5 — CID 169194184

IUPACethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide
SMILESCC.CC.CC(C)CNC=O.CC1CC1.CCC.CCC.CCC1CCOCC1.CCCNC(=O)C(F)(F)F.CCCNC(=O)CC1CCOCC1
InChIInChI=1S/C10H19NO2.C7H14O.C5H8F3NO.C5H11NO.C4H8.2C3H8.2C2H6/c1-2-5-11-10(12)8-9-3-6-13-7-4-9;1-2-7-3-5-8-6-4-7;1-2-3-9-4(10)5(6,7)8;1-5(2)3-6-4-7;1-4-2-3-4;2*1-3-2;2*1-2/h9H,2-8H2,1H3,(H,11,12);7H,2-6H2,1H3;2-3H2,1H3,(H,9,10);4-5H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3;2*3H2,1-2H3;2*1-2H3
InChIKeyFUYGFNZDFZYQEZ-UHFFFAOYSA-N
MW760.16 g/mol
LogP10.92
Rot. Bonds10

About ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide

ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide (PubChem CID 169194184) has the molecular formula C41H88F3N3O5 and a molecular weight of 760.16 g/mol. Its IUPAC name is ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound Nameethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide
PubChem CID169194184
Molecular FormulaC41H88F3N3O5
Molecular Weight760.16 g/mol
Exact Mass759.67
IUPAC Nameethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide
SMILESCC.CC.CC(C)CNC=O.CC1CC1.CCC.CCC.CCC1CCOCC1.CCCNC(=O)C(F)(F)F.CCCNC(=O)CC1CCOCC1
InChIInChI=1S/C10H19NO2.C7H14O.C5H8F3NO.C5H11NO.C4H8.2C3H8.2C2H6/c1-2-5-11-10(12)8-9-3-6-13-7-4-9;1-2-7-3-5-8-6-4-7;1-2-3-9-4(10)5(6,7)8;1-5(2)3-6-4-7;1-4-2-3-4;2*1-3-2;2*1-2/h9H,2-8H2,1H3,(H,11,12);7H,2-6H2,1H3;2-3H2,1H3,(H,9,10);4-5H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3;2*3H2,1-2H3;2*1-2H3
InChIKeyFUYGFNZDFZYQEZ-UHFFFAOYSA-N
XLogP10.92
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.16
LogP ≤ 510.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide?
The IUPAC name of ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide (CID 169194184) is ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide is CC.CC.CC(C)CNC=O.CC1CC1.CCC.CCC.CCC1CCOCC1.CCCNC(=O)C(F)(F)F.CCCNC(=O)CC1CCOCC1.
What is the InChIKey of ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide?
The InChIKey is FUYGFNZDFZYQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C7H14O.C5H8F3NO.C5H11NO.C4H8.2C3H8.2C2H6/c1-2-5-11-10(12)8-9-3-6-13-7-4-9;1-2-7-3-5-8-6-4-7;1-2-3-9-4(10)5(6,7)8;1-5(2)3-6-4-7;1-4-2-3-4;2*1-3-2;2*1-2/h9H,2-8H2,1H3,(H,11,12);7H,2-6H2,1H3;2-3H2,1H3,(H,9,10);4-5H,3H2,1-2H3,(H,6,7);4H,2-3H2,1H3;2*3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide?
ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide has a molecular weight of 760.16 g/mol, XLogP of 10.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyloxane;methylcyclopropane;N-(2-methylpropyl)formamide;2-(oxan-4-yl)-N-propylacetamide;propane;2,2,2-trifluoro-N-propylacetamide is sourced from PubChem (CID 169194184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).