N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide

C15H24N2O — CID 53015442

IUPACN-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(n2cccc2)CCCCC1
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-13(18)15(9-5-4-6-10-15)17-11-7-8-12-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,16,18)
InChIKeyKHFBWIFUYRQIDO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds2

About N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide

N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 53015442) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID53015442
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(n2cccc2)CCCCC1
InChIInChI=1S/C15H24N2O/c1-14(2,3)16-13(18)15(9-5-4-6-10-15)17-11-7-8-12-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,16,18)
InChIKeyKHFBWIFUYRQIDO-UHFFFAOYSA-N
XLogP3.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide (CID 53015442) is N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide is CC(C)(C)NC(=O)C1(n2cccc2)CCCCC1.
What is the InChIKey of N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is KHFBWIFUYRQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)16-13(18)15(9-5-4-6-10-15)17-11-7-8-12-17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide?
N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 53015442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).