N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide

C13H18F3NO4 — CID 78873434

IUPACN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C13H18F3NO4/c1-10(21-9-13(14,15)16)12(18)17(5-7-19-2)8-11-4-3-6-20-11/h3-4,6,10H,5,7-9H2,1-2H3
InChIKeyJCVLVYMHDYZBPB-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.22
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 78873434) has the molecular formula C13H18F3NO4 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID78873434
Molecular FormulaC13H18F3NO4
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C13H18F3NO4/c1-10(21-9-13(14,15)16)12(18)17(5-7-19-2)8-11-4-3-6-20-11/h3-4,6,10H,5,7-9H2,1-2H3
InChIKeyJCVLVYMHDYZBPB-UHFFFAOYSA-N
XLogP2.22
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873737
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 39408412
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-2-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768291
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 78873434) is N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide is COCCN(Cc1ccco1)C(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JCVLVYMHDYZBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO4/c1-10(21-9-13(14,15)16)12(18)17(5-7-19-2)8-11-4-3-6-20-11/h3-4,6,10H,5,7-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 309.28 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 78873434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).