N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide

C15H24N2O — CID 110641674

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
SMILESCc1cc(CCNC(=O)C(C)C)c(C)n1C1CC1
InChIInChI=1S/C15H24N2O/c1-10(2)15(18)16-8-7-13-9-11(3)17(12(13)4)14-5-6-14/h9-10,14H,5-8H2,1-4H3,(H,16,18)
InChIKeyOLEUFKWAANNIFP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 110641674) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
PubChem CID110641674
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
SMILESCc1cc(CCNC(=O)C(C)C)c(C)n1C1CC1
InChIInChI=1S/C15H24N2O/c1-10(2)15(18)16-8-7-13-9-11(3)17(12(13)4)14-5-6-14/h9-10,14H,5-8H2,1-4H3,(H,16,18)
InChIKeyOLEUFKWAANNIFP-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide (CID 110641674) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide is Cc1cc(CCNC(=O)C(C)C)c(C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is OLEUFKWAANNIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)15(18)16-8-7-13-9-11(3)17(12(13)4)14-5-6-14/h9-10,14H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110641674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).