N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide

C25H38N2O2 — CID 8990556

IUPACN,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H38N2O2/c1-25(2,23(28)26-21-17-5-13-3-14(7-17)8-18(21)6-13)24(29)27-22-19-9-15-4-16(11-19)12-20(22)10-15/h13-22H,3-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRIMZPUDFAANTCR-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.89
Rot. Bonds4

About N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide

N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide (PubChem CID 8990556) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
PubChem CID8990556
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H38N2O2/c1-25(2,23(28)26-21-17-5-13-3-14(7-17)8-18(21)6-13)24(29)27-22-19-9-15-4-16(11-19)12-20(22)10-15/h13-22H,3-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRIMZPUDFAANTCR-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11638307
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CID 164611216
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CID 164616312
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CID 879553
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CID 164620519
CID 164620519
CID 46886568
CID 46886568
CID 768190
CID 768190
CID 885956
CID 885956
CID 2960482
CID 2960482
CID 768191
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CID 129747397
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CID 134918051
CID 134918051

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide (CID 8990556) is N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide?
The InChIKey is RIMZPUDFAANTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-25(2,23(28)26-21-17-5-13-3-14(7-17)8-18(21)6-13)24(29)27-22-19-9-15-4-16(11-19)12-20(22)10-15/h13-22H,3-12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide has a molecular weight of 398.59 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 8990556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).