N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide

C18H26N2O2 — CID 125155819

IUPACN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H26N2O2/c21-17-7-5-14(6-8-17)11-18(22)19-12-15-9-10-20(13-15)16-3-1-2-4-16/h5-8,15-16,21H,1-4,9-13H2,(H,19,22)/t15-/m0/s1
InChIKeyKCAIIUNXXUNBEV-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds5

About N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 125155819) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID125155819
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H26N2O2/c21-17-7-5-14(6-8-17)11-18(22)19-12-15-9-10-20(13-15)16-3-1-2-4-16/h5-8,15-16,21H,1-4,9-13H2,(H,19,22)/t15-/m0/s1
InChIKeyKCAIIUNXXUNBEV-HNNXBMFYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91772553
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
ethyl 4-[3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45252331
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide (CID 125155819) is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NC[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is KCAIIUNXXUNBEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-7-5-14(6-8-17)11-18(22)19-12-15-9-10-20(13-15)16-3-1-2-4-16/h5-8,15-16,21H,1-4,9-13H2,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 125155819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).