3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

C23H29NO6 — CID 27449244

IUPAC3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccccc1C1(CNC(=O)c2cc(OC)c(OC)c(OC)c2)CCOCC1
InChIInChI=1S/C23H29NO6/c1-26-18-8-6-5-7-17(18)23(9-11-30-12-10-23)15-24-22(25)16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,25)
InChIKeySZHOODOLYSZLKD-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.20
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27449244) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID27449244
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccccc1C1(CNC(=O)c2cc(OC)c(OC)c(OC)c2)CCOCC1
InChIInChI=1S/C23H29NO6/c1-26-18-8-6-5-7-17(18)23(9-11-30-12-10-23)15-24-22(25)16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,25)
InChIKeySZHOODOLYSZLKD-UHFFFAOYSA-N
XLogP3.20
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
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-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
CID 166180851
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 27449244) is 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccccc1C1(CNC(=O)c2cc(OC)c(OC)c(OC)c2)CCOCC1.
What is the InChIKey of 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is SZHOODOLYSZLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-26-18-8-6-5-7-17(18)23(9-11-30-12-10-23)15-24-22(25)16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27449244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).