2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide

C19H23N3O3 — CID 167977973

IUPAC2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC(O)C(=O)N(C)C1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-13(23)18(24)21(2)15-9-11-22(12-15)19(25)17-16(8-10-20-17)14-6-4-3-5-7-14/h3-8,10,13,15,20,23H,9,11-12H2,1-2H3
InChIKeyYHQDUBCIWOINRS-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.74
Rot. Bonds4

About 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide

2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 167977973) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID167977973
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC(O)C(=O)N(C)C1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c1-13(23)18(24)21(2)15-9-11-22(12-15)19(25)17-16(8-10-20-17)14-6-4-3-5-7-14/h3-8,10,13,15,20,23H,9,11-12H2,1-2H3
InChIKeyYHQDUBCIWOINRS-UHFFFAOYSA-N
XLogP1.74
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110647525
N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide
CID 167779274
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CID 11790592
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 66566803
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide (CID 167977973) is 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide is CC(O)C(=O)N(C)C1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is YHQDUBCIWOINRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(23)18(24)21(2)15-9-11-22(12-15)19(25)17-16(8-10-20-17)14-6-4-3-5-7-14/h3-8,10,13,15,20,23H,9,11-12H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide?
2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 167977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).