N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide

C20H23NO4 — CID 134023779

IUPACN-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-9-7-15(8-10-17)13-21-20(22)16-4-2-5-18(12-16)25-14-19-6-3-11-24-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,21,22)
InChIKeyGZUALKVMDUCOIK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.18
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134023779) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID134023779
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-9-7-15(8-10-17)13-21-20(22)16-4-2-5-18(12-16)25-14-19-6-3-11-24-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,21,22)
InChIKeyGZUALKVMDUCOIK-UHFFFAOYSA-N
XLogP3.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 134023779) is N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide is COc1ccc(CNC(=O)c2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is GZUALKVMDUCOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-9-7-15(8-10-17)13-21-20(22)16-4-2-5-18(12-16)25-14-19-6-3-11-24-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134023779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).