N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O2 — CID 103808813

IUPACN-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C16H22N2O2/c1-20-13-4-2-3-11(9-13)7-8-17-16(19)14-10-12-5-6-15(14)18-12/h2-4,9,12,14-15,18H,5-8,10H2,1H3,(H,17,19)
InChIKeyFDWQNEAITOBERJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103808813) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103808813
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C16H22N2O2/c1-20-13-4-2-3-11(9-13)7-8-17-16(19)14-10-12-5-6-15(14)18-12/h2-4,9,12,14-15,18H,5-8,10H2,1H3,(H,17,19)
InChIKeyFDWQNEAITOBERJ-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137908
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 103808813) is N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is COc1cccc(CCNC(=O)C2CC3CCC2N3)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FDWQNEAITOBERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-13-4-2-3-11(9-13)7-8-17-16(19)14-10-12-5-6-15(14)18-12/h2-4,9,12,14-15,18H,5-8,10H2,1H3,(H,17,19).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103808813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).