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

C17H28N2O — CID 110641681

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C17H28N2O/c1-5-14(6-2)17(20)18-10-9-15-11-12(3)19(13(15)4)16-7-8-16/h11,14,16H,5-10H2,1-4H3,(H,18,20)
InChIKeyXSKWAJVJBCFIJQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.53
Rot. Bonds7

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

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide (PubChem CID 110641681) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
PubChem CID110641681
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C17H28N2O/c1-5-14(6-2)17(20)18-10-9-15-11-12(3)19(13(15)4)16-7-8-16/h11,14,16H,5-10H2,1-4H3,(H,18,20)
InChIKeyXSKWAJVJBCFIJQ-UHFFFAOYSA-N
XLogP3.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.53
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-ethylbutanamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide (CID 110641681) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCc1cc(C)n(C2CC2)c1C.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide?
The InChIKey is XSKWAJVJBCFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-14(6-2)17(20)18-10-9-15-11-12(3)19(13(15)4)16-7-8-16/h11,14,16H,5-10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.53, 7 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-ethylbutanamide is sourced from PubChem (CID 110641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).