N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide

C15H18N2O2 — CID 71855723

IUPACN-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-17-9-5-8-14(17)15(19)16-11-13(18)10-12-6-3-2-4-7-12/h2-9,13,18H,10-11H2,1H3,(H,16,19)
InChIKeyHLMKLYGJRQXLIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.36
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide

N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 71855723) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide
PubChem CID71855723
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-17-9-5-8-14(17)15(19)16-11-13(18)10-12-6-3-2-4-7-12/h2-9,13,18H,10-11H2,1H3,(H,16,19)
InChIKeyHLMKLYGJRQXLIX-UHFFFAOYSA-N
XLogP1.36
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide (CID 71855723) is N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is HLMKLYGJRQXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-9-5-8-14(17)15(19)16-11-13(18)10-12-6-3-2-4-7-12/h2-9,13,18H,10-11H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71855723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).