N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide

C19H22N2O3 — CID 50968700

IUPACN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide
SMILESCN1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C[C@H]1CO
InChIInChI=1S/C19H22N2O3/c1-21-12-15(11-16(21)13-22)20-19(23)14-7-9-18(10-8-14)24-17-5-3-2-4-6-17/h2-10,15-16,22H,11-13H2,1H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyGHQPLRBGWSWVMR-CVEARBPZSA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds5

About N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide

N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide (PubChem CID 50968700) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide
PubChem CID50968700
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide
SMILESCN1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C[C@H]1CO
InChIInChI=1S/C19H22N2O3/c1-21-12-15(11-16(21)13-22)20-19(23)14-7-9-18(10-8-14)24-17-5-3-2-4-6-17/h2-10,15-16,22H,11-13H2,1H3,(H,20,23)/t15-,16+/m1/s1
InChIKeyGHQPLRBGWSWVMR-CVEARBPZSA-N
XLogP2.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
2-(3-aminopropoxy)-4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]benzamide
CID 119067669
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 71687130
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(phenoxymethyl)benzamide
CID 154820224
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
N-[1-[bis(4-chlorophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-4-chlorobenzamide
CID 69372636
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
N'-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanoyl]-4-phenoxybenzohydrazide
CID 9410359
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide?
The IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide (CID 50968700) is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide is CN1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C[C@H]1CO.
What is the InChIKey of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide?
The InChIKey is GHQPLRBGWSWVMR-CVEARBPZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21-12-15(11-16(21)13-22)20-19(23)14-7-9-18(10-8-14)24-17-5-3-2-4-6-17/h2-10,15-16,22H,11-13H2,1H3,(H,20,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide?
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide is sourced from PubChem (CID 50968700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).