N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide

C15H18N2O3 — CID 90496202

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(O)c1cccn1C
InChIInChI=1S/C15H18N2O3/c1-17-9-5-7-12(17)13(18)10-16-15(19)11-6-3-4-8-14(11)20-2/h3-9,13,18H,10H2,1-2H3,(H,16,19)
InChIKeyABGAWRUZAFDFFF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 90496202) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
PubChem CID90496202
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(O)c1cccn1C
InChIInChI=1S/C15H18N2O3/c1-17-9-5-7-12(17)13(18)10-16-15(19)11-6-3-4-8-14(11)20-2/h3-9,13,18H,10H2,1-2H3,(H,16,19)
InChIKeyABGAWRUZAFDFFF-UHFFFAOYSA-N
XLogP1.50
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
CID 99873612
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide (CID 90496202) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(O)c1cccn1C.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is ABGAWRUZAFDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-9-5-7-12(17)13(18)10-16-15(19)11-6-3-4-8-14(11)20-2/h3-9,13,18H,10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 90496202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).