N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

C18H19F3N2O4 — CID 60615637

IUPACN-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOc1ccncc1NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-25-14-7-8-22-10-13(14)23-17(24)6-4-12-3-5-15(16(9-12)26-2)27-11-18(19,20)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,23,24)
InChIKeyHBLLPDLOPJBPTJ-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.61
Rot. Bonds8

About N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 60615637) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID60615637
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCOc1ccncc1NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-25-14-7-8-22-10-13(14)23-17(24)6-4-12-3-5-15(16(9-12)26-2)27-11-18(19,20)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,23,24)
InChIKeyHBLLPDLOPJBPTJ-UHFFFAOYSA-N
XLogP3.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-methylphenyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120568721
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanediamide
CID 51131042
(2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoic acid
CID 97234320
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]-N-(2-methylpropyl)benzamide
CID 60615607
ethyl (2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoate
CID 52507615
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
3-(3,4-dimethoxyphenyl)-N-imidazo[1,2-a]pyridin-8-ylpropanamide
CID 110745748

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 60615637) is N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is COc1ccncc1NC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1.
What is the InChIKey of N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is HBLLPDLOPJBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-25-14-7-8-22-10-13(14)23-17(24)6-4-12-3-5-15(16(9-12)26-2)27-11-18(19,20)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide?
N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 384.35 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 60615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).