N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide

C37H40N2O4 — CID 162400253

IUPACN-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide
SMILESCON(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1N(O)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2O4/c1-43-39(37(41)27-33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)35-25-15-14-24-34(35)38(42)36(40)26-32(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-13,16-23,32-35,42H,14-15,24-27H2,1H3/t34-,35-/m1/s1
InChIKeySNROYDJQFNDQNZ-VSJLXWSYSA-N
MW576.74 g/mol
LogP7.35
Rot. Bonds11

About N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide

N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide (PubChem CID 162400253) has the molecular formula C37H40N2O4 and a molecular weight of 576.74 g/mol. Its IUPAC name is N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide
PubChem CID162400253
Molecular FormulaC37H40N2O4
Molecular Weight576.74 g/mol
Exact Mass576.30
IUPAC NameN-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide
SMILESCON(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1N(O)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H40N2O4/c1-43-39(37(41)27-33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)35-25-15-14-24-34(35)38(42)36(40)26-32(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-13,16-23,32-35,42H,14-15,24-27H2,1H3/t34-,35-/m1/s1
InChIKeySNROYDJQFNDQNZ-VSJLXWSYSA-N
XLogP7.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 57.35
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-hydroxy-N-[2-[hydroxy(3,3,3-triphenylpropanoyl)amino]cyclohexyl]-3,3,3-triphenylpropanamide
CID 18451590
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
CID 132619736
N-hydroxy-N-[(1R,2R)-2-(1-hydroxy-2-oxo-3,3-diphenylpropyl)cyclohexyl]-2,2-diphenylacetamide
CID 164671386
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
CID 100527162
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100510531

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide?
The IUPAC name of N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide (CID 162400253) is N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide is CON(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1N(O)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide?
The InChIKey is SNROYDJQFNDQNZ-VSJLXWSYSA-N. The full InChI is InChI=1S/C37H40N2O4/c1-43-39(37(41)27-33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)35-25-15-14-24-34(35)38(42)36(40)26-32(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h2-13,16-23,32-35,42H,14-15,24-27H2,1H3/t34-,35-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide?
N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide has a molecular weight of 576.74 g/mol, XLogP of 7.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[3,3-diphenylpropanoyl(methoxy)amino]cyclohexyl]-N-hydroxy-3,3-diphenylpropanamide is sourced from PubChem (CID 162400253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).