N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide

C21H25NO4 — CID 112503014

IUPACN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-18-9-8-17(14-19(18)25-2)21(10-12-26-13-11-21)15-22-20(23)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyNXCXIDPNSBYWCF-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.18
Rot. Bonds6

About N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 112503014) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID112503014
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-18-9-8-17(14-19(18)25-2)21(10-12-26-13-11-21)15-22-20(23)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyNXCXIDPNSBYWCF-UHFFFAOYSA-N
XLogP3.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 30038082
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide (CID 112503014) is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccccc3)CCOCC2)cc1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is NXCXIDPNSBYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-9-8-17(14-19(18)25-2)21(10-12-26-13-11-21)15-22-20(23)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide?
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 112503014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).