3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

C22H27NO5 — CID 27449461

IUPAC3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-7-5-4-6-17(18)22(10-12-28-13-11-22)15-23-21(24)16-8-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,24)
InChIKeyDYVRSRRMKYVCKM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.19
Rot. Bonds7

About 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27449461) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID27449461
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-7-5-4-6-17(18)22(10-12-28-13-11-22)15-23-21(24)16-8-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,24)
InChIKeyDYVRSRRMKYVCKM-UHFFFAOYSA-N
XLogP3.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
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
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 27449461) is 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is DYVRSRRMKYVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-25-18-7-5-4-6-17(18)22(10-12-28-13-11-22)15-23-21(24)16-8-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,24).
What are the key properties of 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27449461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).