4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

C21H25NO4 — CID 27449238

IUPAC4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C21H25NO4/c1-24-17-9-7-16(8-10-17)20(23)22-15-21(11-13-26-14-12-21)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,22,23)
InChIKeyGVMCMYWPRREDFD-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.18
Rot. Bonds6

About 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27449238) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID27449238
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C21H25NO4/c1-24-17-9-7-16(8-10-17)20(23)22-15-21(11-13-26-14-12-21)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,22,23)
InChIKeyGVMCMYWPRREDFD-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-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
CID 110441001
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
CID 166180851

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 27449238) is 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is GVMCMYWPRREDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-17-9-7-16(8-10-17)20(23)22-15-21(11-13-26-14-12-21)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
4-methoxy-N-[[4-(2-methoxyphenyl)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 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27449238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).