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

C17H25ClN2O — CID 3023133

IUPACN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C.Cl
InChIInChI=1S/C17H24N2O.ClH/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;1H
InChIKeyQAUKKHXPVVGRNO-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.15
Rot. Bonds3

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

N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 3023133) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID3023133
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C.Cl
InChIInChI=1S/C17H24N2O.ClH/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;1H
InChIKeyQAUKKHXPVVGRNO-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.15
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;hydrochloride?
The IUPAC name of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 3023133) is N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride is CN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C.Cl.
What is the InChIKey of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is QAUKKHXPVVGRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/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;1H.
What are the key properties of N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-benzyl-N,2,2,5,5-pentamethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.15, 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;hydrochloride is sourced from PubChem (CID 3023133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).