3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

C20H24N2O4 — CID 51121582

IUPAC3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C20H24N2O4/c1-24-18-9-16(10-19(11-18)25-2)20(23)22(14-17-6-4-8-26-17)13-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13-14H2,1-2H3
InChIKeyIFGYPKBVRFPNMN-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.92
Rot. Bonds7

About 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 51121582) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID51121582
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C20H24N2O4/c1-24-18-9-16(10-19(11-18)25-2)20(23)22(14-17-6-4-8-26-17)13-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13-14H2,1-2H3
InChIKeyIFGYPKBVRFPNMN-UHFFFAOYSA-N
XLogP2.92
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4522378
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (CID 51121582) is 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IFGYPKBVRFPNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-18-9-16(10-19(11-18)25-2)20(23)22(14-17-6-4-8-26-17)13-15-5-3-7-21-12-15/h3,5,7,9-12,17H,4,6,8,13-14H2,1-2H3.
What are the key properties of 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 51121582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).