N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide

C48H46N2O4 — CID 18451590

IUPACN-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
SMILESO=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(O)C1CCCCC1N(O)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H46N2O4/c51-45(35-47(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39)49(53)43-33-19-20-34-44(43)50(54)46(52)36-48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,43-44,53-54H,19-20,33-36H2
InChIKeyVWHFLRGVWVBFFY-UHFFFAOYSA-N
MW714.91 g/mol
LogP9.58
Rot. Bonds12

About N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide

N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide (PubChem CID 18451590) has the molecular formula C48H46N2O4 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
PubChem CID18451590
Molecular FormulaC48H46N2O4
Molecular Weight714.91 g/mol
Exact Mass714.35
IUPAC NameN-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
SMILESO=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(O)C1CCCCC1N(O)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H46N2O4/c51-45(35-47(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39)49(53)43-33-19-20-34-44(43)50(54)46(52)36-48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,43-44,53-54H,19-20,33-36H2
InChIKeyVWHFLRGVWVBFFY-UHFFFAOYSA-N
XLogP9.58
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 59.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[benzoyl(hydroxy)amino]cyclohexyl]-N-hydroxybenzamide;N-[(2R)-2-[[2,2-bis(3,5-dimethylphenyl)acetyl]-hydroxyamino]cyclohexyl]-2,2-bis(3,5-dimethylphenyl)-N-hydroxyacetamide;N-[(2R)-2-[[2,2-bis(3-methylphenyl)acetyl]-hydroxyamino]cyclohexyl]-N-hydroxy-2,2-bis(3-methylphenyl)acetamide;N-hydroxy-N-[(2R)-2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
CID 159918015
N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide
CID 162400253
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
N,N-dicyclohexyl-3-methyl-3-phenylbutanamide
CID 144994558
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
CID 10266085
2,2-diphenylpentan-3-one
CID 70793023
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide?
The IUPAC name of N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide (CID 18451590) is N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide?
The canonical SMILES for N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide is O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(O)C1CCCCC1N(O)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide?
The InChIKey is VWHFLRGVWVBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N2O4/c51-45(35-47(37-21-7-1-8-22-37,38-23-9-2-10-24-38)39-25-11-3-12-26-39)49(53)43-33-19-20-34-44(43)50(54)46(52)36-48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42/h1-18,21-32,43-44,53-54H,19-20,33-36H2.
What are the key properties of N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide?
N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide has a molecular weight of 714.91 g/mol, XLogP of 9.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide is sourced from PubChem (CID 18451590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).