4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide

C21H24N2O2 — CID 95226196

IUPAC4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESC=Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-16-6-8-19(9-7-16)21(25)22-13-18-10-11-23(15-18)14-17-4-3-5-20(24)12-17/h2-9,12,18,24H,1,10-11,13-15H2,(H,22,25)/t18-/m1/s1
InChIKeyLKTJKMNFQGOSIO-GOSISDBHSA-N
MW336.44 g/mol
LogP3.29
Rot. Bonds6

About 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide

4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95226196) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95226196
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESC=Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-16-6-8-19(9-7-16)21(25)22-13-18-10-11-23(15-18)14-17-4-3-5-20(24)12-17/h2-9,12,18,24H,1,10-11,13-15H2,(H,22,25)/t18-/m1/s1
InChIKeyLKTJKMNFQGOSIO-GOSISDBHSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
CID 56714508
2-amino-N-[[(3S)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyrimidine-4-carboxamide
CID 95223504
N-[[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95204634
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
(E)-3-[4-[(1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 175172599
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxybenzamide
CID 56706496

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide (CID 95226196) is 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide is C=Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1.
What is the InChIKey of 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is LKTJKMNFQGOSIO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-16-6-8-19(9-7-16)21(25)22-13-18-10-11-23(15-18)14-17-4-3-5-20(24)12-17/h2-9,12,18,24H,1,10-11,13-15H2,(H,22,25)/t18-/m1/s1.
What are the key properties of 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95226196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).