N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O2 — CID 107861024

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)C1CC2CCC1N2
InChIInChI=1S/C16H22N2O2/c19-10-13(8-11-4-2-1-3-5-11)18-16(20)14-9-12-6-7-15(14)17-12/h1-5,12-15,17,19H,6-10H2,(H,18,20)/t12?,13-,14?,15?/m1/s1
InChIKeyQDJXIYWNXPDWML-MXTXEEQBSA-N
MW274.36 g/mol
LogP0.85
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107861024) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107861024
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)C1CC2CCC1N2
InChIInChI=1S/C16H22N2O2/c19-10-13(8-11-4-2-1-3-5-11)18-16(20)14-9-12-6-7-15(14)17-12/h1-5,12-15,17,19H,6-10H2,(H,18,20)/t12?,13-,14?,15?/m1/s1
InChIKeyQDJXIYWNXPDWML-MXTXEEQBSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-[(1R)-1-(2-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81388024
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 107861024) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)C1CC2CCC1N2.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QDJXIYWNXPDWML-MXTXEEQBSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-10-13(8-11-4-2-1-3-5-11)18-16(20)14-9-12-6-7-15(14)17-12/h1-5,12-15,17,19H,6-10H2,(H,18,20)/t12?,13-,14?,15?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107861024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).