N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide

C17H24N2O — CID 3023134

IUPACN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)11-14(17(3,4)18-16)15(20)19(5)12-13-9-7-6-8-10-13/h6-11,18H,12H2,1-5H3
InChIKeyVBRTYSSQBYPBBM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.73
Rot. Bonds3

About N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide

N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide (PubChem CID 3023134) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
PubChem CID3023134
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C17H24N2O/c1-16(2)11-14(17(3,4)18-16)15(20)19(5)12-13-9-7-6-8-10-13/h6-11,18H,12H2,1-5H3
InChIKeyVBRTYSSQBYPBBM-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide (CID 3023134) is N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide is CN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C.
What is the InChIKey of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
The InChIKey is VBRTYSSQBYPBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2)11-14(17(3,4)18-16)15(20)19(5)12-13-9-7-6-8-10-13/h6-11,18H,12H2,1-5H3.
What are the key properties of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide?
N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 3023134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).