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

C17H32N2O4 — CID 66923528

IUPAC1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)[C@@H](CO)N(C(=O)C1(C(N)=O)CC1)[C@H](CO)C(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-15(2,3)11(9-20)19(12(10-21)16(4,5)6)14(23)17(7-8-17)13(18)22/h11-12,20-21H,7-10H2,1-6H3,(H2,18,22)/t11-,12-/m1/s1
InChIKeyVUJLVYZLLMNWOC-VXGBXAGGSA-N
MW328.45 g/mol
LogP0.89
Rot. Bonds6

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

1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923528) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide
PubChem CID66923528
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)[C@@H](CO)N(C(=O)C1(C(N)=O)CC1)[C@H](CO)C(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-15(2,3)11(9-20)19(12(10-21)16(4,5)6)14(23)17(7-8-17)13(18)22/h11-12,20-21H,7-10H2,1-6H3,(H2,18,22)/t11-,12-/m1/s1
InChIKeyVUJLVYZLLMNWOC-VXGBXAGGSA-N
XLogP0.89
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 50.89
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[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide (CID 66923528) is 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide is CC(C)(C)[C@@H](CO)N(C(=O)C1(C(N)=O)CC1)[C@H](CO)C(C)(C)C.
What is the InChIKey of 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is VUJLVYZLLMNWOC-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-15(2,3)11(9-20)19(12(10-21)16(4,5)6)14(23)17(7-8-17)13(18)22/h11-12,20-21H,7-10H2,1-6H3,(H2,18,22)/t11-,12-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 328.45 g/mol, XLogP of 0.89, 6 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[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).