N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O2 — CID 107734506

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(C(=O)C1CC2CCC1N2)c1cc(O)ccc1C
InChIInChI=1S/C16H22N2O2/c1-3-18(15-9-12(19)6-4-10(15)2)16(20)13-8-11-5-7-14(13)17-11/h4,6,9,11,13-14,17,19H,3,5,7-8H2,1-2H3
InChIKeyNPSCUBNMNWTWJP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds3

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107734506) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107734506
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(C(=O)C1CC2CCC1N2)c1cc(O)ccc1C
InChIInChI=1S/C16H22N2O2/c1-3-18(15-9-12(19)6-4-10(15)2)16(20)13-8-11-5-7-14(13)17-11/h4,6,9,11,13-14,17,19H,3,5,7-8H2,1-2H3
InChIKeyNPSCUBNMNWTWJP-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 28740149
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107179782
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 107734552
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 43210202
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 107735320

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 107734506) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CCN(C(=O)C1CC2CCC1N2)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NPSCUBNMNWTWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18(15-9-12(19)6-4-10(15)2)16(20)13-8-11-5-7-14(13)17-11/h4,6,9,11,13-14,17,19H,3,5,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107734506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).