N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide

C14H24N2O — CID 3066543

IUPACN-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1ccc(C)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-11-8-9-12(2)16(11)10-6-7-13(17)15-14(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,15,17)
InChIKeyWZIAFZVCSGBPJQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.80
Rot. Bonds4

About N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide

N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide (PubChem CID 3066543) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
PubChem CID3066543
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1ccc(C)n1CCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-11-8-9-12(2)16(11)10-6-7-13(17)15-14(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,15,17)
InChIKeyWZIAFZVCSGBPJQ-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The IUPAC name of N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide (CID 3066543) is N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide.
What is the SMILES notation for N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The canonical SMILES for N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide is Cc1ccc(C)n1CCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The InChIKey is WZIAFZVCSGBPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-8-9-12(2)16(11)10-6-7-13(17)15-14(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide?
N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide has a molecular weight of 236.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide is sourced from PubChem (CID 3066543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).