N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide

C15H18N2O2 — CID 90496187

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2cccn2C)c1
InChIInChI=1S/C15H18N2O2/c1-11-5-3-6-12(9-11)15(19)16-10-14(18)13-7-4-8-17(13)2/h3-9,14,18H,10H2,1-2H3,(H,16,19)
InChIKeyWIZHPGQOXVFNIA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide (PubChem CID 90496187) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
PubChem CID90496187
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2cccn2C)c1
InChIInChI=1S/C15H18N2O2/c1-11-5-3-6-12(9-11)15(19)16-10-14(18)13-7-4-8-17(13)2/h3-9,14,18H,10H2,1-2H3,(H,16,19)
InChIKeyWIZHPGQOXVFNIA-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methyl-3-nitrobenzamide
CID 90496233
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 95982465
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
CID 86266713
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide (CID 90496187) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)c2cccn2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide?
The InChIKey is WIZHPGQOXVFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-3-6-12(9-11)15(19)16-10-14(18)13-7-4-8-17(13)2/h3-9,14,18H,10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 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-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 90496187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).