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

C23H28N2O4 — CID 66923768

IUPAC1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c24-21(28)23(11-12-23)22(29)25(19(15-26)13-17-7-3-1-4-8-17)20(16-27)14-18-9-5-2-6-10-18/h1-10,19-20,26-27H,11-16H2,(H2,24,28)/t19-,20-/m1/s1
InChIKeyRLDMAGCDDWMBIF-WOJBJXKFSA-N
MW396.49 g/mol
LogP1.29
Rot. Bonds10

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

1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923768) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
PubChem CID66923768
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c24-21(28)23(11-12-23)22(29)25(19(15-26)13-17-7-3-1-4-8-17)20(16-27)14-18-9-5-2-6-10-18/h1-10,19-20,26-27H,11-16H2,(H2,24,28)/t19-,20-/m1/s1
InChIKeyRLDMAGCDDWMBIF-WOJBJXKFSA-N
XLogP1.29
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.29
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]cyclopentane-1,1-dicarboxamide
CID 66923383
1-N',1-N'-bis(3-hydroxy-3-methyl-1-phenylbutan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217664
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)-2-phenylethyl]cyclopentane-1,1-dicarboxamide
CID 77217431
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[(1R)-2-benzyl-2-hydroxy-1,3-diphenylpropyl]cyclopropane-1,1-dicarboxamide
CID 66923549
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopropane-1,1-dicarboxamide
CID 77217573
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923493
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[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 66923873
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

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide (CID 66923768) is 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N([C@@H](CO)Cc2ccccc2)[C@@H](CO)Cc2ccccc2)CC1.
What is the InChIKey of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is RLDMAGCDDWMBIF-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H28N2O4/c24-21(28)23(11-12-23)22(29)25(19(15-26)13-17-7-3-1-4-8-17)20(16-27)14-18-9-5-2-6-10-18/h1-10,19-20,26-27H,11-16H2,(H2,24,28)/t19-,20-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.29, 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]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).