5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide

C23H29NO4 — CID 56581644

IUPAC5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
SMILESCCc1ccc(O)c(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)c1
InChIInChI=1S/C23H29NO4/c1-4-17-6-7-20(25)18(14-17)22(26)24-15-23(9-11-28-12-10-23)19-13-16(2)5-8-21(19)27-3/h5-8,13-14,25H,4,9-12,15H2,1-3H3,(H,24,26)
InChIKeyAONHLFZRPSBDNC-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.75
Rot. Bonds6

About 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide

5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 56581644) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
PubChem CID56581644
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
SMILESCCc1ccc(O)c(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)c1
InChIInChI=1S/C23H29NO4/c1-4-17-6-7-20(25)18(14-17)22(26)24-15-23(9-11-28-12-10-23)19-13-16(2)5-8-21(19)27-3/h5-8,13-14,25H,4,9-12,15H2,1-3H3,(H,24,26)
InChIKeyAONHLFZRPSBDNC-UHFFFAOYSA-N
XLogP3.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124686138
N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 56581671
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740061
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
1-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110980042
1-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359380
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1,2-dimethylguanidine
CID 111307864
1-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 111854552
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide (CID 56581644) is 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide is CCc1ccc(O)c(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)c1.
What is the InChIKey of 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is AONHLFZRPSBDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-17-6-7-20(25)18(14-17)22(26)24-15-23(9-11-28-12-10-23)19-13-16(2)5-8-21(19)27-3/h5-8,13-14,25H,4,9-12,15H2,1-3H3,(H,24,26).
What are the key properties of 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide?
5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 56581644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).