N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide

C32H36N2O7 — CID 145060891

IUPACN-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide
SMILESCCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccoc2)cc1)C(O)(O)c1ccccc1.O=CNO
InChIInChI=1S/C31H33NO5.CH3NO2/c1-2-3-4-10-20-37-29-14-9-8-11-26(29)22-32(31(34,35)28-12-6-5-7-13-28)30(33)25-17-15-24(16-18-25)27-19-21-36-23-27;3-1-2-4/h5-9,11-19,21,23,34-35H,2-4,10,20,22H2,1H3;1,4H,(H,2,3)
InChIKeyZPGYKSCHWRQRLT-UHFFFAOYSA-N
MW560.65 g/mol
LogP5.46
Rot. Bonds13

About N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide

N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide (PubChem CID 145060891) has the molecular formula C32H36N2O7 and a molecular weight of 560.65 g/mol. Its IUPAC name is N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide.

Molecular Properties

Compound NameN-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide
PubChem CID145060891
Molecular FormulaC32H36N2O7
Molecular Weight560.65 g/mol
Exact Mass560.25
IUPAC NameN-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide
SMILESCCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccoc2)cc1)C(O)(O)c1ccccc1.O=CNO
InChIInChI=1S/C31H33NO5.CH3NO2/c1-2-3-4-10-20-37-29-14-9-8-11-26(29)22-32(31(34,35)28-12-6-5-7-13-28)30(33)25-17-15-24(16-18-25)27-19-21-36-23-27;3-1-2-4/h5-9,11-19,21,23,34-35H,2-4,10,20,22H2,1H3;1,4H,(H,2,3)
InChIKeyZPGYKSCHWRQRLT-UHFFFAOYSA-N
XLogP5.46
TPSA132.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[dihydroxy(phenyl)methyl]-N-[(2-hexoxyphenyl)methyl]-4-thiophen-3-ylbenzamide;formic acid
CID 145061253
4-(1-amino-3-iminoprop-1-en-2-yl)-N-[dihydroxy(phenyl)methyl]-N-[(2-hexoxyphenyl)methyl]benzamide
CID 145060771
6-[2-[[2-deuteriopropan-2-yl-[4-[3-(furan-3-yl)phenyl]benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 121270426
N-benzyl-N-[dideuterio-[2-(7-hydroxy-6-oxoheptoxy)phenyl]methyl]-4-(furan-3-yl)benzamide
CID 157080664
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 145060810
formic acid;4-(furan-3-yl)-N-[(2-hexoxyphenyl)-hydroxymethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 145060830
N-cyclopropyl-4-(4-fluorophenyl)-N-[(2-hexoxyphenyl)-dihydroxymethyl]benzamide
CID 145060429
N-[(2-hexoxyphenyl)methyl]-N-[hydroxy(phenyl)methyl]-4-pyridin-3-ylbenzamide
CID 145060870
4-(furan-2-yl)-N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopentyl)benzamide
CID 145060930
6-[2-[deuterio-[[4-(furan-3-yl)benzoyl]-(3-morpholin-4-ylpropyl)amino]methyl]phenoxy]hexanoic acid
CID 121270185
N-[(2-hexoxyphenyl)methyl]-N-(1-hydroxycyclopropyl)-4-[2-(trifluoromethyl)phenyl]benzamide
CID 145060556
4-(furan-2-yl)-N-[(2-hexoxyphenyl)-dihydroxymethyl]-N-propan-2-ylbenzamide
CID 145061032

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide?
The IUPAC name of N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide (CID 145060891) is N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide.
What is the SMILES notation for N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide?
The canonical SMILES for N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide is CCCCCCOc1ccccc1CN(C(=O)c1ccc(-c2ccoc2)cc1)C(O)(O)c1ccccc1.O=CNO.
What is the InChIKey of N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide?
The InChIKey is ZPGYKSCHWRQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO5.CH3NO2/c1-2-3-4-10-20-37-29-14-9-8-11-26(29)22-32(31(34,35)28-12-6-5-7-13-28)30(33)25-17-15-24(16-18-25)27-19-21-36-23-27;3-1-2-4/h5-9,11-19,21,23,34-35H,2-4,10,20,22H2,1H3;1,4H,(H,2,3).
What are the key properties of N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide?
N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide has a molecular weight of 560.65 g/mol, XLogP of 5.46, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(phenyl)methyl]-4-(furan-3-yl)-N-[(2-hexoxyphenyl)methyl]benzamide;N-hydroxyformamide is sourced from PubChem (CID 145060891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).