2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane

C28H39F2NO5 — CID 169204812

IUPAC2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane
SMILESC=Cc1ccc(NC(=O)C(O)C2CC2)cc1C.C=O.C=O.CCC.Cc1cccc(OC(C)(F)F)c1
InChIInChI=1S/C14H17NO2.C9H10F2O.C3H8.2CH2O/c1-3-10-6-7-12(8-9(10)2)15-14(17)13(16)11-4-5-11;1-7-4-3-5-8(6-7)12-9(2,10)11;1-3-2;2*1-2/h3,6-8,11,13,16H,1,4-5H2,2H3,(H,15,17);3-6H,1-2H3;3H2,1-2H3;2*1H2
InChIKeyAPMRDEACZNHRPT-UHFFFAOYSA-N
MW507.62 g/mol
LogP6.38
Rot. Bonds6

About 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane

2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane (PubChem CID 169204812) has the molecular formula C28H39F2NO5 and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane
PubChem CID169204812
Molecular FormulaC28H39F2NO5
Molecular Weight507.62 g/mol
Exact Mass507.28
IUPAC Name2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane
SMILESC=Cc1ccc(NC(=O)C(O)C2CC2)cc1C.C=O.C=O.CCC.Cc1cccc(OC(C)(F)F)c1
InChIInChI=1S/C14H17NO2.C9H10F2O.C3H8.2CH2O/c1-3-10-6-7-12(8-9(10)2)15-14(17)13(16)11-4-5-11;1-7-4-3-5-8(6-7)12-9(2,10)11;1-3-2;2*1-2/h3,6-8,11,13,16H,1,4-5H2,2H3,(H,15,17);3-6H,1-2H3;3H2,1-2H3;2*1H2
InChIKeyAPMRDEACZNHRPT-UHFFFAOYSA-N
XLogP6.38
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 652031
[1-(4-Methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 25163478
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenoxy]propanamide
CID 155543287
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 747181
N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 2850422
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 795355
N-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 4165567
SQ 32191
CID 196812
2-phenoxy-N-[4-(propan-2-yl)phenyl]butanamide
CID 2853683
2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)acetamide
CID 679596
2-(3-methylphenoxy)-N-[4-(propan-2-yl)phenyl]acetamide
CID 723309
(4-{[(2,3-Dimethylphenoxy)acetyl]amino}phenyl)acetic acid
CID 2996628

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane?
The IUPAC name of 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane (CID 169204812) is 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane.
What is the SMILES notation for 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane?
The canonical SMILES for 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane is C=Cc1ccc(NC(=O)C(O)C2CC2)cc1C.C=O.C=O.CCC.Cc1cccc(OC(C)(F)F)c1.
What is the InChIKey of 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane?
The InChIKey is APMRDEACZNHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C9H10F2O.C3H8.2CH2O/c1-3-10-6-7-12(8-9(10)2)15-14(17)13(16)11-4-5-11;1-7-4-3-5-8(6-7)12-9(2,10)11;1-3-2;2*1-2/h3,6-8,11,13,16H,1,4-5H2,2H3,(H,15,17);3-6H,1-2H3;3H2,1-2H3;2*1H2.
What are the key properties of 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane?
2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane has a molecular weight of 507.62 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-ethenyl-3-methylphenyl)-2-hydroxyacetamide;1-(1,1-difluoroethoxy)-3-methylbenzene;formaldehyde;propane is sourced from PubChem (CID 169204812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).