N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O2 — CID 81388024

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C16H22N2O2/c1-10(12-5-3-4-6-15(12)20-2)17-16(19)13-9-11-7-8-14(13)18-11/h3-6,10-11,13-14,18H,7-9H2,1-2H3,(H,17,19)/t10-,11?,13?,14?/m1/s1
InChIKeyOASAOSAWWCWWBT-AZAQEYEISA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 81388024) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID81388024
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C16H22N2O2/c1-10(12-5-3-4-6-15(12)20-2)17-16(19)13-9-11-7-8-14(13)18-11/h3-6,10-11,13-14,18H,7-9H2,1-2H3,(H,17,19)/t10-,11?,13?,14?/m1/s1
InChIKeyOASAOSAWWCWWBT-AZAQEYEISA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81373141
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
N-[(1R)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81360058
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
2-amino-N-[1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683016
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 81388024) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is COc1ccccc1[C@@H](C)NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OASAOSAWWCWWBT-AZAQEYEISA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(12-5-3-4-6-15(12)20-2)17-16(19)13-9-11-7-8-14(13)18-11/h3-6,10-11,13-14,18H,7-9H2,1-2H3,(H,17,19)/t10-,11?,13?,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 81388024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).