N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide

C30H34N2O5 — CID 3408807

IUPACN-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C2OC(CN3CCOCC3)CC(c3ccc(CO)cc3)O2)cc1)c1ccccc1
InChIInChI=1S/C30H34N2O5/c33-21-23-8-10-24(11-9-23)28-18-27(20-32-14-16-35-17-15-32)36-30(37-28)26-12-6-22(7-13-26)19-31-29(34)25-4-2-1-3-5-25/h1-13,27-28,30,33H,14-21H2,(H,31,34)
InChIKeyGCVBFICTKSIGHM-UHFFFAOYSA-N
MW502.61 g/mol
LogP3.99
Rot. Bonds8

About N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide

N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide (PubChem CID 3408807) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide
PubChem CID3408807
Molecular FormulaC30H34N2O5
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC NameN-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C2OC(CN3CCOCC3)CC(c3ccc(CO)cc3)O2)cc1)c1ccccc1
InChIInChI=1S/C30H34N2O5/c33-21-23-8-10-24(11-9-23)28-18-27(20-32-14-16-35-17-15-32)36-30(37-28)26-12-6-22(7-13-26)19-31-29(34)25-4-2-1-3-5-25/h1-13,27-28,30,33H,14-21H2,(H,31,34)
InChIKeyGCVBFICTKSIGHM-UHFFFAOYSA-N
XLogP3.99
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide with MolForge

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Related Compounds

N-[[4-[(2S,4S,6R)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
CID 6695677
N-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzamide
CID 6697765
1-benzyl-3-[[2-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
CID 6698926
N-[[2-[4-[(2S,4S,6R)-4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 6694182
1-benzyl-3-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]urea
CID 6698860
N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
CID 3334975
N-[4-[(2S,4S,6R)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]benzamide
CID 6706964
[4-[(2R,4S,6R)-2-[4-(aminomethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-4-yl]phenyl]methanol
CID 6698861
N-[[2-[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 6701875
N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzamide
CID 4154171
4-[[(2R,4R,6S)-2-[4-(benzamidomethyl)phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
CID 6701611
6-acetamido-N-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]hexanamide
CID 6693380

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide (CID 3408807) is N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide is O=C(NCc1ccc(C2OC(CN3CCOCC3)CC(c3ccc(CO)cc3)O2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide?
The InChIKey is GCVBFICTKSIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O5/c33-21-23-8-10-24(11-9-23)28-18-27(20-32-14-16-35-17-15-32)36-30(37-28)26-12-6-22(7-13-26)19-31-29(34)25-4-2-1-3-5-25/h1-13,27-28,30,33H,14-21H2,(H,31,34).
What are the key properties of N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide?
N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide has a molecular weight of 502.61 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[4-(hydroxymethyl)phenyl]-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 3408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).