formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C19H32F3NO3 — CID 169111536

IUPACformaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC.C=O.CC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F
InChIInChI=1S/C17H26F3NO2.CH2O.CH4/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20;1-2;/h7-8,13H,4-6,9-12H2,1-3H3;1H2;1H4/t13-;;/m1../s1
InChIKeyMDNGRNJMOXXMNN-FFXKMJQXSA-N
MW379.46 g/mol
LogP4.56
Rot. Bonds8

About formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 169111536) has the molecular formula C19H32F3NO3 and a molecular weight of 379.46 g/mol. Its IUPAC name is formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Nameformaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID169111536
Molecular FormulaC19H32F3NO3
Molecular Weight379.46 g/mol
Exact Mass379.23
IUPAC Nameformaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC.C=O.CC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F
InChIInChI=1S/C17H26F3NO2.CH2O.CH4/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20;1-2;/h7-8,13H,4-6,9-12H2,1-3H3;1H2;1H4/t13-;;/m1../s1
InChIKeyMDNGRNJMOXXMNN-FFXKMJQXSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoroethyl 2-[cyclohexa-1,5-dien-1-ylmethyl(2-methylpropyl)amino]-2-oxoacetate
CID 169111918
2-(2-methoxyethoxy)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113339661
2-propoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113339667
2-ethoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 115772131
2-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 115772137
2-propan-2-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 115772197
2-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 115968625
N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 169111537

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 169111536) is formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is C.C=O.CC[C@@H](C)CN(CC1=CCCC=C1C)C(=O)COCC(F)(F)F.
What is the InChIKey of formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MDNGRNJMOXXMNN-FFXKMJQXSA-N. The full InChI is InChI=1S/C17H26F3NO2.CH2O.CH4/c1-4-13(2)9-21(10-15-8-6-5-7-14(15)3)16(22)11-23-12-17(18,19)20;1-2;/h7-8,13H,4-6,9-12H2,1-3H3;1H2;1H4/t13-;;/m1../s1.
What are the key properties of formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 379.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methane;N-[(2R)-2-methylbutyl]-N-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 169111536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).