1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide

C19H36N2O4 — CID 66923890

IUPAC1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)C[C@H](CO)N(C(=O)C1(C(N)=O)CCCC1)[C@@H](CO)CC(C)C
InChIInChI=1S/C19H36N2O4/c1-13(2)9-15(11-22)21(16(12-23)10-14(3)4)18(25)19(17(20)24)7-5-6-8-19/h13-16,22-23H,5-12H2,1-4H3,(H2,20,24)/t15-,16-/m1/s1
InChIKeyADDRSXPTHDBHSH-HZPDHXFCSA-N
MW356.51 g/mol
LogP1.67
Rot. Bonds10

About 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide

1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66923890) 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-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66923890
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)C[C@H](CO)N(C(=O)C1(C(N)=O)CCCC1)[C@@H](CO)CC(C)C
InChIInChI=1S/C19H36N2O4/c1-13(2)9-15(11-22)21(16(12-23)10-14(3)4)18(25)19(17(20)24)7-5-6-8-19/h13-16,22-23H,5-12H2,1-4H3,(H2,20,24)/t15-,16-/m1/s1
InChIKeyADDRSXPTHDBHSH-HZPDHXFCSA-N
XLogP1.67
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide (CID 66923890) is 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide is CC(C)C[C@H](CO)N(C(=O)C1(C(N)=O)CCCC1)[C@@H](CO)CC(C)C.
What is the InChIKey of 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is ADDRSXPTHDBHSH-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-13(2)9-15(11-22)21(16(12-23)10-14(3)4)18(25)19(17(20)24)7-5-6-8-19/h13-16,22-23H,5-12H2,1-4H3,(H2,20,24)/t15-,16-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide?
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 1.67, 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-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66923890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).