3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

C25H26N2O3 — CID 131912029

IUPAC3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)N(Cc2ccccn2)CC2CCCO2)c1
InChIInChI=1S/C25H26N2O3/c1-29-24-13-3-2-12-23(24)19-8-6-9-20(16-19)25(28)27(18-22-11-7-15-30-22)17-21-10-4-5-14-26-21/h2-6,8-10,12-14,16,22H,7,11,15,17-18H2,1H3
InChIKeyMCPOMLKDVHLWPT-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.58
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 131912029) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID131912029
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)N(Cc2ccccn2)CC2CCCO2)c1
InChIInChI=1S/C25H26N2O3/c1-29-24-13-3-2-12-23(24)19-8-6-9-20(16-19)25(28)27(18-22-11-7-15-30-22)17-21-10-4-5-14-26-21/h2-6,8-10,12-14,16,22H,7,11,15,17-18H2,1H3
InChIKeyMCPOMLKDVHLWPT-UHFFFAOYSA-N
XLogP4.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)carbamoyl]anilino]acetic acid
CID 46988637
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 97152220
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 131912029) is 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is COc1ccccc1-c1cccc(C(=O)N(Cc2ccccn2)CC2CCCO2)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MCPOMLKDVHLWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-24-13-3-2-12-23(24)19-8-6-9-20(16-19)25(28)27(18-22-11-7-15-30-22)17-21-10-4-5-14-26-21/h2-6,8-10,12-14,16,22H,7,11,15,17-18H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 131912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).