3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide

C21H24N2O2 — CID 95190416

IUPAC3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCN(C/C=C/c2ccccc2)C1)c1cccc(O)c1
InChIInChI=1S/C21H24N2O2/c24-20-10-4-9-19(14-20)21(25)22-15-18-11-13-23(16-18)12-5-8-17-6-2-1-3-7-17/h1-10,14,18,24H,11-13,15-16H2,(H,22,25)/b8-5+/t18-/m0/s1
InChIKeyMDAZXBPNAMFNAI-MOTZXUDYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds6

About 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide

3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95190416) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95190416
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCN(C/C=C/c2ccccc2)C1)c1cccc(O)c1
InChIInChI=1S/C21H24N2O2/c24-20-10-4-9-19(14-20)21(25)22-15-18-11-13-23(16-18)12-5-8-17-6-2-1-3-7-17/h1-10,14,18,24H,11-13,15-16H2,(H,22,25)/b8-5+/t18-/m0/s1
InChIKeyMDAZXBPNAMFNAI-MOTZXUDYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 56701383
2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 95188553
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
3-[3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76907329
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
CID 56706496
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
CID 131896747
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide (CID 95190416) is 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide is O=C(NC[C@@H]1CCN(C/C=C/c2ccccc2)C1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MDAZXBPNAMFNAI-MOTZXUDYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-10-4-9-19(14-20)21(25)22-15-18-11-13-23(16-18)12-5-8-17-6-2-1-3-7-17/h1-10,14,18,24H,11-13,15-16H2,(H,22,25)/b8-5+/t18-/m0/s1.
What are the key properties of 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide?
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95190416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).