N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide

C19H24N2O3 — CID 100644638

IUPACN-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(-n2cccc2)c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1
InChIInChI=1S/C19H24N2O3/c1-14-4-5-18(21-7-2-3-8-21)17(10-14)19(23)20-11-16(12-22)15-6-9-24-13-15/h2-5,7-8,10,15-16,22H,6,9,11-13H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyLHZCGSBHKXYNLN-HOTGVXAUSA-N
MW328.41 g/mol
LogP2.16
Rot. Bonds6

About N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide

N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide (PubChem CID 100644638) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide
PubChem CID100644638
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(-n2cccc2)c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1
InChIInChI=1S/C19H24N2O3/c1-14-4-5-18(21-7-2-3-8-21)17(10-14)19(23)20-11-16(12-22)15-6-9-24-13-15/h2-5,7-8,10,15-16,22H,6,9,11-13H2,1H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyLHZCGSBHKXYNLN-HOTGVXAUSA-N
XLogP2.16
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
CID 100644801
2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
CID 100644821
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
N-[3-hydroxy-2-(oxolan-3-yl)propyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119037260
3-(4-bromothiophen-2-yl)-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]propanamide
CID 100644933
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 111912006
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
CID 61047784
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111477581
5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 95629166

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide (CID 100644638) is N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide is Cc1ccc(-n2cccc2)c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1.
What is the InChIKey of N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide?
The InChIKey is LHZCGSBHKXYNLN-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-4-5-18(21-7-2-3-8-21)17(10-14)19(23)20-11-16(12-22)15-6-9-24-13-15/h2-5,7-8,10,15-16,22H,6,9,11-13H2,1H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide?
N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 100644638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).