3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C27H30N2O5 — CID 42319962

IUPAC3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)c1
InChIInChI=1S/C27H30N2O5/c1-31-25-13-22(14-26(15-25)32-2)27(30)29(17-23-7-3-4-10-28-23)16-20-6-5-8-24(12-20)34-19-21-9-11-33-18-21/h3-8,10,12-15,21H,9,11,16-19H2,1-2H3/t21-/m1/s1
InChIKeyCVEVLMHALTUBRS-OAQYLSRUSA-N
MW462.55 g/mol
LogP4.36
Rot. Bonds10

About 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 42319962) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID42319962
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)c1
InChIInChI=1S/C27H30N2O5/c1-31-25-13-22(14-26(15-25)32-2)27(30)29(17-23-7-3-4-10-28-23)16-20-6-5-8-24(12-20)34-19-21-9-11-33-18-21/h3-8,10,12-15,21H,9,11,16-19H2,1-2H3/t21-/m1/s1
InChIKeyCVEVLMHALTUBRS-OAQYLSRUSA-N
XLogP4.36
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 26349493
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 42319962) is 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is CVEVLMHALTUBRS-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-31-25-13-22(14-26(15-25)32-2)27(30)29(17-23-7-3-4-10-28-23)16-20-6-5-8-24(12-20)34-19-21-9-11-33-18-21/h3-8,10,12-15,21H,9,11,16-19H2,1-2H3/t21-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 42319962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).