N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide

C44H40N2O4 — CID 23140884

IUPACN,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide
SMILESO=C(NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H40N2O4/c47-41(45-39(31-33-19-7-1-8-20-33)43(49,35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(48)46-40(32-34-21-9-2-10-22-34)44(50,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40,49-50H,31-32H2,(H,45,47)(H,46,48)
InChIKeyCQJIXNNKXYIDCU-UHFFFAOYSA-N
MW660.81 g/mol
LogP6.31
Rot. Bonds12

About N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide

N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide (PubChem CID 23140884) has the molecular formula C44H40N2O4 and a molecular weight of 660.81 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide
PubChem CID23140884
Molecular FormulaC44H40N2O4
Molecular Weight660.81 g/mol
Exact Mass660.30
IUPAC NameN,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide
SMILESO=C(NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H40N2O4/c47-41(45-39(31-33-19-7-1-8-20-33)43(49,35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(48)46-40(32-34-21-9-2-10-22-34)44(50,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40,49-50H,31-32H2,(H,45,47)(H,46,48)
InChIKeyCQJIXNNKXYIDCU-UHFFFAOYSA-N
XLogP6.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.81
LogP ≤ 56.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(S)-N-{(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[(S)-2-(2-hydroxy-2,2-diphenyl-acetylamino)-3-methyl-butyrylamino]-5-phenyl-pentyl}-2-(2-hydroxy-2,2-diphenyl-acetylamino)-3-methyl-butyramide
CID 10395974
2-[(2,2-diphenylacetyl)amino]-N-[4-[(2-hydroxy-2-phenylethyl)amino]-3,4-dioxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 44353631
N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
CID 164618121
(S)-N-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[(S)-2-(2-hydroxy-2,2-diphenyl-acetylamino)-3-methyl-butyrylamino]-5-phenyl-pentyl}-2-(2-hydroxy-2,2-diphenyl-acetylamino)-3-methyl-butyramide
CID 10373582
(Piperidine-2,6-diyl)bis(diphenylmethanol)
CID 94054
1,1'-(Piperidine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94055
N-cyclohexyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3228769
N1-cyclopentyl-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765392
N1-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 71781851
(S)-N-((S)-2-Hydroxy-1,2,2-triphenylethyl)pyrrolidine-2-carboxamide
CID 16726634
(2S)-2-[[3-[[[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]amino]methyl]phenyl]methylamino]-4-methyl-1,1-diphenylpentan-1-ol
CID 21633277
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-4-methylpentanamide
CID 24970715

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide?
The IUPAC name of N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide (CID 23140884) is N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide?
The canonical SMILES for N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide is O=C(NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide?
The InChIKey is CQJIXNNKXYIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2O4/c47-41(45-39(31-33-19-7-1-8-20-33)43(49,35-23-11-3-12-24-35)36-25-13-4-14-26-36)42(48)46-40(32-34-21-9-2-10-22-34)44(50,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40,49-50H,31-32H2,(H,45,47)(H,46,48).
What are the key properties of N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide?
N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide has a molecular weight of 660.81 g/mol, XLogP of 6.31, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-1,1,3-triphenylpropan-2-yl)oxamide is sourced from PubChem (CID 23140884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).