N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide

C15H24ClN3O — CID 79711659

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C15H24ClN3O/c1-6-19-8-9(16)7-10(19)11(20)18-13-14(2,3)12(17)15(13,4)5/h7-8,12-13H,6,17H2,1-5H3,(H,18,20)
InChIKeyOADFDYKNZKIUNP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.65
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 79711659) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID79711659
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C15H24ClN3O/c1-6-19-8-9(16)7-10(19)11(20)18-13-14(2,3)12(17)15(13,4)5/h7-8,12-13H,6,17H2,1-5H3,(H,18,20)
InChIKeyOADFDYKNZKIUNP-UHFFFAOYSA-N
XLogP2.65
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 79711659) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is OADFDYKNZKIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-6-19-8-9(16)7-10(19)11(20)18-13-14(2,3)12(17)15(13,4)5/h7-8,12-13H,6,17H2,1-5H3,(H,18,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 79711659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).