N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide

C20H24N2O3 — CID 86801413

IUPACN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
SMILESCC1CC(CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14-7-16(13-22(14)12-15-5-3-2-4-6-15)11-21-20(25)17-8-18(23)10-19(24)9-17/h2-6,8-10,14,16,23-24H,7,11-13H2,1H3,(H,21,25)
InChIKeyHRWZKHYSIYEFPD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.74
Rot. Bonds5

About N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide

N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide (PubChem CID 86801413) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
PubChem CID86801413
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
SMILESCC1CC(CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14-7-16(13-22(14)12-15-5-3-2-4-6-15)11-21-20(25)17-8-18(23)10-19(24)9-17/h2-6,8-10,14,16,23-24H,7,11-13H2,1H3,(H,21,25)
InChIKeyHRWZKHYSIYEFPD-UHFFFAOYSA-N
XLogP2.74
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518
(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124845128
1-[[(3S,5R)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]urea
CID 124841019
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
1-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430905
N-[(1-benzyl-4-methylpiperazin-2-yl)methyl]-4-hydroxy-1-methylindazole-6-carboxamide
CID 167767779

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide (CID 86801413) is N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide is CC1CC(CNC(=O)c2cc(O)cc(O)c2)CN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide?
The InChIKey is HRWZKHYSIYEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-16(13-22(14)12-15-5-3-2-4-6-15)11-21-20(25)17-8-18(23)10-19(24)9-17/h2-6,8-10,14,16,23-24H,7,11-13H2,1H3,(H,21,25).
What are the key properties of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide?
N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 86801413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).