1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide

C25H32N2O4 — CID 66923383

IUPAC1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C25H32N2O4/c26-23(30)25(13-7-8-14-25)24(31)27(21(17-28)15-19-9-3-1-4-10-19)22(18-29)16-20-11-5-2-6-12-20/h1-6,9-12,21-22,28-29H,7-8,13-18H2,(H2,26,30)/t21-,22-/m1/s1
InChIKeyLGQWUDSTHWWWIQ-FGZHOGPDSA-N
MW424.54 g/mol
LogP2.07
Rot. Bonds10

About 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide

1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66923383) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66923383
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CCCC1
InChIInChI=1S/C25H32N2O4/c26-23(30)25(13-7-8-14-25)24(31)27(21(17-28)15-19-9-3-1-4-10-19)22(18-29)16-20-11-5-2-6-12-20/h1-6,9-12,21-22,28-29H,7-8,13-18H2,(H2,26,30)/t21-,22-/m1/s1
InChIKeyLGQWUDSTHWWWIQ-FGZHOGPDSA-N
XLogP2.07
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923768
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)-2-phenylethyl]cyclopentane-1,1-dicarboxamide
CID 77217431
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923890
1-N',1-N'-bis(3-hydroxy-3-methyl-1-phenylbutan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217664
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923621
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopentane-1,1-dicarboxamide
CID 77217710
1-N',1-N'-bis(2-benzyl-2-hydroxy-1,3-diphenylpropyl)cyclohexane-1,1-dicarboxamide
CID 77217436
1-N',1-N'-bis[1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 77217598
1-N',1-N'-bis[(2R)-3-hydroxy-1-phenyl-3-propylhexan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923856
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923941
1-N',1-N'-bis[(3R)-2-benzyl-2-hydroxy-5-methyl-1-phenylhexan-3-yl]cyclobutane-1,1-dicarboxamide
CID 66923845
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923989

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide (CID 66923383) is 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide is NC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is LGQWUDSTHWWWIQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H32N2O4/c26-23(30)25(13-7-8-14-25)24(31)27(21(17-28)15-19-9-3-1-4-10-19)22(18-29)16-20-11-5-2-6-12-20/h1-6,9-12,21-22,28-29H,7-8,13-18H2,(H2,26,30)/t21-,22-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide?
1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 424.54 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66923383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).