N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide

C38H40N2O10 — CID 144641341

IUPACN-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(OC2CC(O)CC(CO)O2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(OC4CC(O)CC(CO)O4)c3)cc2)cc1
InChIInChI=1S/C38H40N2O10/c41-21-33-17-29(43)19-35(49-33)47-31-5-1-3-27(15-31)39-37(45)25-11-7-23(8-12-25)24-9-13-26(14-10-24)38(46)40-28-4-2-6-32(16-28)48-36-20-30(44)18-34(22-42)50-36/h1-16,29-30,33-36,41-44H,17-22H2,(H,39,45)(H,40,46)
InChIKeyYQTOBSOJERRZGK-UHFFFAOYSA-N
MW684.74 g/mol
LogP4.33
Rot. Bonds11

About N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide

N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide (PubChem CID 144641341) has the molecular formula C38H40N2O10 and a molecular weight of 684.74 g/mol. Its IUPAC name is N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
PubChem CID144641341
Molecular FormulaC38H40N2O10
Molecular Weight684.74 g/mol
Exact Mass684.27
IUPAC NameN-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(OC2CC(O)CC(CO)O2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(OC4CC(O)CC(CO)O4)c3)cc2)cc1
InChIInChI=1S/C38H40N2O10/c41-21-33-17-29(43)19-35(49-33)47-31-5-1-3-27(15-31)39-37(45)25-11-7-23(8-12-25)24-9-13-26(14-10-24)38(46)40-28-4-2-6-32(16-28)48-36-20-30(44)18-34(22-42)50-36/h1-16,29-30,33-36,41-44H,17-22H2,(H,39,45)(H,40,46)
InChIKeyYQTOBSOJERRZGK-UHFFFAOYSA-N
XLogP4.33
TPSA176.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.74
LogP ≤ 54.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide
CID 123200821
2-(hydroxymethyl)-6-[3-[[(E)-3-(4-methoxyphenyl)prop-1-enyl]amino]phenoxy]oxan-4-ol
CID 142997343
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
6-chloro-N-(3-cyclopentyloxyphenyl)pyridine-3-carboxamide
CID 46579918
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-(2-amino-2-oxoethoxy)-N-(3-cyclopentyloxyphenyl)benzamide
CID 36546121
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
4-[3-[(4-phenylbenzoyl)amino]phenoxy]phthalic acid
CID 3107993

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide (CID 144641341) is N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide is O=C(Nc1cccc(OC2CC(O)CC(CO)O2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(OC4CC(O)CC(CO)O4)c3)cc2)cc1.
What is the InChIKey of N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide?
The InChIKey is YQTOBSOJERRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O10/c41-21-33-17-29(43)19-35(49-33)47-31-5-1-3-27(15-31)39-37(45)25-11-7-23(8-12-25)24-9-13-26(14-10-24)38(46)40-28-4-2-6-32(16-28)48-36-20-30(44)18-34(22-42)50-36/h1-16,29-30,33-36,41-44H,17-22H2,(H,39,45)(H,40,46).
What are the key properties of N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide?
N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide has a molecular weight of 684.74 g/mol, XLogP of 4.33, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-[4-[[3-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 144641341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).