2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide

C20H28N2O2 — CID 99775305

IUPAC2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)C2CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23)/t13?,16-,17+,20-/m0/s1
InChIKeyHFANQHAUCOPOQY-OUQPWMGESA-N
MW328.46 g/mol
LogP3.18
Rot. Bonds6

About 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide

2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 99775305) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
PubChem CID99775305
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)C2CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23)/t13?,16-,17+,20-/m0/s1
InChIKeyHFANQHAUCOPOQY-OUQPWMGESA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
CID 119799836
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 119806177
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide (CID 99775305) is 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide is COc1ccc([C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)C2CC2)cc1.
What is the InChIKey of 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is HFANQHAUCOPOQY-OUQPWMGESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23)/t13?,16-,17+,20-/m0/s1.
What are the key properties of 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 99775305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).