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

C19H36N2O4 — CID 66924022

IUPAC1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)(C)C)CCCC1
InChIInChI=1S/C19H36N2O4/c1-17(2,3)13(11-22)20-15(24)19(9-7-8-10-19)16(25)21-14(12-23)18(4,5)6/h13-14,22-23H,7-12H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m0/s1
InChIKeyZQQIUPQDEVENNR-KBPBESRZSA-N
MW356.51 g/mol
LogP1.59
Rot. Bonds6

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

1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66924022) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66924022
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)(C)C)CCCC1
InChIInChI=1S/C19H36N2O4/c1-17(2,3)13(11-22)20-15(24)19(9-7-8-10-19)16(25)21-14(12-23)18(4,5)6/h13-14,22-23H,7-12H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m0/s1
InChIKeyZQQIUPQDEVENNR-KBPBESRZSA-N
XLogP1.59
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide (CID 66924022) is 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide is CC(C)(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)(C)C)CCCC1.
What is the InChIKey of 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is ZQQIUPQDEVENNR-KBPBESRZSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-17(2,3)13(11-22)20-15(24)19(9-7-8-10-19)16(25)21-14(12-23)18(4,5)6/h13-14,22-23H,7-12H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-/m0/s1.
What are the key properties of 1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 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-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66924022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).