1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide

C22H42N2O2 — CID 23621833

IUPAC1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(C(=O)NC(C)(C)CC(C)(C)C)CCC1
InChIInChI=1S/C22H42N2O2/c1-18(2,3)14-20(7,8)23-16(25)22(12-11-13-22)17(26)24-21(9,10)15-19(4,5)6/h11-15H2,1-10H3,(H,23,25)(H,24,26)
InChIKeyOJJCIDGRWZFGEQ-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.82
Rot. Bonds6

About 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide

1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide (PubChem CID 23621833) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
PubChem CID23621833
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(C(=O)NC(C)(C)CC(C)(C)C)CCC1
InChIInChI=1S/C22H42N2O2/c1-18(2,3)14-20(7,8)23-16(25)22(12-11-13-22)17(26)24-21(9,10)15-19(4,5)6/h11-15H2,1-10H3,(H,23,25)(H,24,26)
InChIKeyOJJCIDGRWZFGEQ-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.82
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

1-N,1-N'-ditert-butylcyclobutane-1,1-dicarboxamide
CID 167387365
1-N,1-N'-bis(2,2-dimethylpropanoyl)cyclobutane-1,1-dicarboxamide
CID 125478671
N'-(2,4,4-trimethylpentan-2-yl)propanediamide
CID 88523859
2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 89201402
2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide
CID 90070956
N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)pentan-2-yl]-2,2,4,4-tetramethylhexanamide
CID 117972747
N-(4-acetamido-2,4-dimethylpentan-2-yl)-2,2-dimethylpentanamide
CID 117972815
N-(4-acetamido-2,4-dimethylpentan-2-yl)-3,3-dimethylpentanamide
CID 117972831
N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide
CID 118101175
2-(2-aminopropan-2-yl)-4,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 123928663
N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide
CID 130332839
N-tert-butyl-1-methylcyclobutane-1-carboxamide
CID 132070144

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide (CID 23621833) is 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide is CC(C)(C)CC(C)(C)NC(=O)C1(C(=O)NC(C)(C)CC(C)(C)C)CCC1.
What is the InChIKey of 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide?
The InChIKey is OJJCIDGRWZFGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-18(2,3)14-20(7,8)23-16(25)22(12-11-13-22)17(26)24-21(9,10)15-19(4,5)6/h11-15H2,1-10H3,(H,23,25)(H,24,26).
What are the key properties of 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide?
1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide has a molecular weight of 366.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 23621833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).