N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

C21H26N2O3 — CID 121085154

IUPACN-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H26N2O3/c1-25-16-13-23(17-18-7-11-22-12-8-18)20(24)21(9-14-26-15-10-21)19-5-3-2-4-6-19/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyBWHWBFHLVHAINX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds7

About N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (PubChem CID 121085154) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
PubChem CID121085154
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H26N2O3/c1-25-16-13-23(17-18-7-11-22-12-8-18)20(24)21(9-14-26-15-10-21)19-5-3-2-4-6-19/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyBWHWBFHLVHAINX-UHFFFAOYSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide
CID 119071518
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115439199
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 99959246
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 83063903
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 62392237
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 72872777

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide (CID 121085154) is N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is COCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is BWHWBFHLVHAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-16-13-23(17-18-7-11-22-12-8-18)20(24)21(9-14-26-15-10-21)19-5-3-2-4-6-19/h2-8,11-12H,9-10,13-17H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide?
N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 121085154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).