N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide

C26H29FN2O4 — CID 70919054

IUPACN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide
SMILESCOc1ccc(Cc2ncccc2N(Cc2cc(OC)ccc2OCCCF)C(C)=O)cc1
InChIInChI=1S/C26H29FN2O4/c1-19(30)29(18-21-17-23(32-3)11-12-26(21)33-15-5-13-27)25-6-4-14-28-24(25)16-20-7-9-22(31-2)10-8-20/h4,6-12,14,17H,5,13,15-16,18H2,1-3H3
InChIKeyKKEAIYBOUHJUNC-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.98
Rot. Bonds11

About N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide

N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide (PubChem CID 70919054) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide
PubChem CID70919054
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide
SMILESCOc1ccc(Cc2ncccc2N(Cc2cc(OC)ccc2OCCCF)C(C)=O)cc1
InChIInChI=1S/C26H29FN2O4/c1-19(30)29(18-21-17-23(32-3)11-12-26(21)33-15-5-13-27)25-6-4-14-28-24(25)16-20-7-9-22(31-2)10-8-20/h4,6-12,14,17H,5,13,15-16,18H2,1-3H3
InChIKeyKKEAIYBOUHJUNC-UHFFFAOYSA-N
XLogP4.98
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]-N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 89100637
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-N-[[2-(2-(18F)fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 44622012
2-[2-[[acetyl-[2-[(2,3-dimethylphenyl)methyl]-3-pyridinyl]amino]methyl]-4-methoxyphenoxy]ethyl methanesulfonate
CID 89100639
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 159302896
N-[2-(2-fluorophenoxy)-3-pyridinyl]-N-[[2-(furan-2-ylmethoxy)-5-methoxyphenyl]methyl]acetamide
CID 91567062
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-[(2-ethoxy-5-methoxyphenyl)methyl]-N-[2-(5-fluorocyclopenta-1,4-dien-1-yl)oxy-3-pyridinyl]acetamide
CID 91408389
N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
CID 70919061
N-[(2,5-dimethoxyphenyl)methyl]-N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 143936412
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 59765851
[2-[[acetyl-[2-(2-fluorophenoxy)-3-pyridinyl]amino]methyl]-4-methoxyphenyl] propane-1-sulfonate
CID 174724479

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide (CID 70919054) is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide is COc1ccc(Cc2ncccc2N(Cc2cc(OC)ccc2OCCCF)C(C)=O)cc1.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide?
The InChIKey is KKEAIYBOUHJUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-19(30)29(18-21-17-23(32-3)11-12-26(21)33-15-5-13-27)25-6-4-14-28-24(25)16-20-7-9-22(31-2)10-8-20/h4,6-12,14,17H,5,13,15-16,18H2,1-3H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide?
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide has a molecular weight of 452.53 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]-N-[2-[(4-methoxyphenyl)methyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 70919054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).