N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide

C21H37NO2 — CID 2750730

IUPACN,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide
SMILESCC1CCC(C)(C(=O)N(C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3
InChIKeyBHUKNCSDHSSDAL-UHFFFAOYSA-N
MW335.53 g/mol
LogP4.90
Rot. Bonds2

About N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide

N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide (PubChem CID 2750730) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide
PubChem CID2750730
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC NameN,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide
SMILESCC1CCC(C)(C(=O)N(C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3
InChIKeyBHUKNCSDHSSDAL-UHFFFAOYSA-N
XLogP4.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide?
The IUPAC name of N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide (CID 2750730) is N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide?
The canonical SMILES for N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide is CC1CCC(C)(C(=O)N(C)C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.
What is the InChIKey of N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide?
The InChIKey is BHUKNCSDHSSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-14-10-12-20(7,18(14,3)4)16(23)22(9)17(24)21(8)13-11-15(2)19(21,5)6/h14-15H,10-13H2,1-9H3.
What are the key properties of N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide?
N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide has a molecular weight of 335.53 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,2,3-pentamethyl-N-(1,2,2,3-tetramethylcyclopentanecarbonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2750730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).