N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide

C23H28N2O2 — CID 119071518

IUPACN-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C23H28N2O2/c1-27-16-15-25(17-19-9-13-24-14-10-19)21(26)23(20-7-3-2-4-8-20)18-22(23)11-5-6-12-22/h2-4,7-10,13-14H,5-6,11-12,15-18H2,1H3
InChIKeyYWYOMFUBFNZVMV-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.96
Rot. Bonds7

About N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide

N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide (PubChem CID 119071518) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide
PubChem CID119071518
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C23H28N2O2/c1-27-16-15-25(17-19-9-13-24-14-10-19)21(26)23(20-7-3-2-4-8-20)18-22(23)11-5-6-12-22/h2-4,7-10,13-14H,5-6,11-12,15-18H2,1H3
InChIKeyYWYOMFUBFNZVMV-UHFFFAOYSA-N
XLogP3.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-4-phenyl-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 121085154
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
(2S)-N-(2-hydroxyethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]spiro[2.4]heptane-2-carboxamide
CID 126439131
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 83063903
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 99959246
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 72872777
1-(2-fluorophenyl)-N,N-bis(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110436861
N-benzyl-3-bromo-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 134028374

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide (CID 119071518) is N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide is COCCN(Cc1ccncc1)C(=O)C1(c2ccccc2)CC12CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is YWYOMFUBFNZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-16-15-25(17-19-9-13-24-14-10-19)21(26)23(20-7-3-2-4-8-20)18-22(23)11-5-6-12-22/h2-4,7-10,13-14H,5-6,11-12,15-18H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide?
N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 119071518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).