N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

C23H28N2O3 — CID 42277857

IUPACN-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C23H28N2O3/c26-23(20-6-4-7-20)25(15-21-8-1-2-11-24-21)14-18-5-3-9-22(13-18)28-17-19-10-12-27-16-19/h1-3,5,8-9,11,13,19-20H,4,6-7,10,12,14-17H2/t19-/m0/s1
InChIKeyLIQAYXHXGNGNDU-IBGZPJMESA-N
MW380.49 g/mol
LogP3.83
Rot. Bonds8

About N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide (PubChem CID 42277857) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
PubChem CID42277857
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C23H28N2O3/c26-23(20-6-4-7-20)25(15-21-8-1-2-11-24-21)14-18-5-3-9-22(13-18)28-17-19-10-12-27-16-19/h1-3,5,8-9,11,13,19-20H,4,6-7,10,12,14-17H2/t19-/m0/s1
InChIKeyLIQAYXHXGNGNDU-IBGZPJMESA-N
XLogP3.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 45220438
3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26340235
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)oxolane-2-carboxamide
CID 45169703
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 26349493

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide (CID 42277857) is N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1.
What is the InChIKey of N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
The InChIKey is LIQAYXHXGNGNDU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O3/c26-23(20-6-4-7-20)25(15-21-8-1-2-11-24-21)14-18-5-3-9-22(13-18)28-17-19-10-12-27-16-19/h1-3,5,8-9,11,13,19-20H,4,6-7,10,12,14-17H2/t19-/m0/s1.
What are the key properties of N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide?
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 42277857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).