4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

C16H20N2O3 — CID 90496212

IUPAC4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C16H20N2O3/c1-3-21-13-8-6-12(7-9-13)16(20)17-11-15(19)14-5-4-10-18(14)2/h4-10,15,19H,3,11H2,1-2H3,(H,17,20)
InChIKeyFUQZUAAKQQWCMM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds6

About 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide

4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 90496212) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
PubChem CID90496212
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(O)c2cccn2C)cc1
InChIInChI=1S/C16H20N2O3/c1-3-21-13-8-6-12(7-9-13)16(20)17-11-15(19)14-5-4-10-18(14)2/h4-10,15,19H,3,11H2,1-2H3,(H,17,20)
InChIKeyFUQZUAAKQQWCMM-UHFFFAOYSA-N
XLogP1.89
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 95982465
N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide
CID 42218984
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methyl-3-nitrobenzamide
CID 90496233
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90496287
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
CID 18589070

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 90496212) is 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCC(O)c2cccn2C)cc1.
What is the InChIKey of 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
The InChIKey is FUQZUAAKQQWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-13-8-6-12(7-9-13)16(20)17-11-15(19)14-5-4-10-18(14)2/h4-10,15,19H,3,11H2,1-2H3,(H,17,20).
What are the key properties of 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide?
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 90496212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).