N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide

C16H20N2O — CID 50847027

IUPACN-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2)cn1C
InChIInChI=1S/C16H20N2O/c1-4-12(2)17-16(19)15-10-14(11-18(15)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,19)
InChIKeyVSOJILBZKQPTOT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide

N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide (PubChem CID 50847027) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
PubChem CID50847027
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2)cn1C
InChIInChI=1S/C16H20N2O/c1-4-12(2)17-16(19)15-10-14(11-18(15)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,19)
InChIKeyVSOJILBZKQPTOT-UHFFFAOYSA-N
XLogP3.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide (CID 50847027) is N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide is CCC(C)NC(=O)c1cc(-c2ccccc2)cn1C.
What is the InChIKey of N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide?
The InChIKey is VSOJILBZKQPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-12(2)17-16(19)15-10-14(11-18(15)3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide?
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 50847027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).