N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide

C26H26N2O2 — CID 66864205

IUPACN-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
SMILESO=C(NC1CC1)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCC2)cc1
InChIInChI=1S/C26H26N2O2/c29-25(28-22-11-12-22)19-5-7-20(8-6-19)26(15-3-16-26)21-9-13-24(14-10-21)30-18-23-4-1-2-17-27-23/h1-2,4-10,13-14,17,22H,3,11-12,15-16,18H2,(H,28,29)
InChIKeyCLOHBUSPIYPVBZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.02
Rot. Bonds7

About N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide

N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide (PubChem CID 66864205) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
PubChem CID66864205
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
SMILESO=C(NC1CC1)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCC2)cc1
InChIInChI=1S/C26H26N2O2/c29-25(28-22-11-12-22)19-5-7-20(8-6-19)26(15-3-16-26)21-9-13-24(14-10-21)30-18-23-4-1-2-17-27-23/h1-2,4-10,13-14,17,22H,3,11-12,15-16,18H2,(H,28,29)
InChIKeyCLOHBUSPIYPVBZ-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
CID 66864364
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
4-[(1R)-2-cyclopentyl-1-[4-(pyridin-2-ylmethoxy)phenyl]ethyl]-N-piperidin-4-ylbenzamide
CID 143789516
N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66863811
N-(1-methylpiperidin-4-yl)-4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 58095607
2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
CID 66863853
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
N-[(1-hydroxycyclopropyl)methyl]-4-[(1S,2R,4R)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 66864463
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide (CID 66864205) is N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide is O=C(NC1CC1)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide?
The InChIKey is CLOHBUSPIYPVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(28-22-11-12-22)19-5-7-20(8-6-19)26(15-3-16-26)21-9-13-24(14-10-21)30-18-23-4-1-2-17-27-23/h1-2,4-10,13-14,17,22H,3,11-12,15-16,18H2,(H,28,29).
What are the key properties of N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide?
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 66864205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).