N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide

C14H16N2O2 — CID 43391337

IUPACN-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-9-5-8-12(16)14(18)15-10-13(17)11-6-3-2-4-7-11/h2-9,13,17H,10H2,1H3,(H,15,18)
InChIKeyYKVJDBLASGUYHM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.49
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide

N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43391337) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
PubChem CID43391337
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-9-5-8-12(16)14(18)15-10-13(17)11-6-3-2-4-7-11/h2-9,13,17H,10H2,1H3,(H,15,18)
InChIKeyYKVJDBLASGUYHM-UHFFFAOYSA-N
XLogP1.49
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide (CID 43391337) is N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YKVJDBLASGUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-5-8-12(16)14(18)15-10-13(17)11-6-3-2-4-7-11/h2-9,13,17H,10H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide?
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43391337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).