4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide

C21H39N3O2 — CID 171748853

IUPAC4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC(C(=O)NC(C)(C)C)C2CN(C(C)(C)C)CC12
InChIInChI=1S/C21H39N3O2/c1-19(2,3)22-17(25)13-10-14(18(26)23-20(4,5)6)16-12-24(11-15(13)16)21(7,8)9/h13-16H,10-12H2,1-9H3,(H,22,25)(H,23,26)
InChIKeyYPFMCVKKMBYDEG-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.80
Rot. Bonds2

About 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide

4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide (PubChem CID 171748853) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide
PubChem CID171748853
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC(C(=O)NC(C)(C)C)C2CN(C(C)(C)C)CC12
InChIInChI=1S/C21H39N3O2/c1-19(2,3)22-17(25)13-10-14(18(26)23-20(4,5)6)16-12-24(11-15(13)16)21(7,8)9/h13-16H,10-12H2,1-9H3,(H,22,25)(H,23,26)
InChIKeyYPFMCVKKMBYDEG-UHFFFAOYSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide with MolForge

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Related Compounds

N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
CID 168727027
N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide
CID 89460475
N-tert-butylcyclooctanecarboxamide
CID 65022804
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
2-N-tert-butylcyclohexane-1,2-dicarboxamide
CID 82041026
3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 156678207
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134365
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide (CID 171748853) is 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide is CC(C)(C)NC(=O)C1CC(C(=O)NC(C)(C)C)C2CN(C(C)(C)C)CC12.
What is the InChIKey of 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide?
The InChIKey is YPFMCVKKMBYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-19(2,3)22-17(25)13-10-14(18(26)23-20(4,5)6)16-12-24(11-15(13)16)21(7,8)9/h13-16H,10-12H2,1-9H3,(H,22,25)(H,23,26).
What are the key properties of 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide?
4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide has a molecular weight of 365.56 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide is sourced from PubChem (CID 171748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).