N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C21H30N2O2 — CID 98764094

IUPACN-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1[C@H]2CC[C@H]1CC(O)C2)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C21H30N2O2/c24-19-12-17-10-11-18(13-19)23(17)14-20(25)22-21(16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-19,21,24H,4-5,8-14H2,(H,22,25)/t17-,18-,21-/m0/s1
InChIKeyZHSVQUFQKLJALM-WFXMLNOXSA-N
MW342.48 g/mol
LogP3.02
Rot. Bonds5

About N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 98764094) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID98764094
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESO=C(CN1[C@H]2CC[C@H]1CC(O)C2)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C21H30N2O2/c24-19-12-17-10-11-18(13-19)23(17)14-20(25)22-21(16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-19,21,24H,4-5,8-14H2,(H,22,25)/t17-,18-,21-/m0/s1
InChIKeyZHSVQUFQKLJALM-WFXMLNOXSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125119984
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 124860560
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]acetamide
CID 124750124
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[cyclopropyl(phenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86914718

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 98764094) is N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is O=C(CN1[C@H]2CC[C@H]1CC(O)C2)N[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is ZHSVQUFQKLJALM-WFXMLNOXSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-19-12-17-10-11-18(13-19)23(17)14-20(25)22-21(16-8-4-5-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-19,21,24H,4-5,8-14H2,(H,22,25)/t17-,18-,21-/m0/s1.
What are the key properties of N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 98764094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).