N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C21H24N2O3 — CID 156607656

IUPACN-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)N1CC2CCC1C2
InChIInChI=1S/C21H24N2O3/c24-21(23-15-16-10-11-17(23)14-16)22-19-8-4-5-9-20(19)26-13-12-25-18-6-2-1-3-7-18/h1-9,16-17H,10-15H2,(H,22,24)
InChIKeyDCUZDYFPJFXOAJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156607656) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156607656
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccc1OCCOc1ccccc1)N1CC2CCC1C2
InChIInChI=1S/C21H24N2O3/c24-21(23-15-16-10-11-17(23)14-16)22-19-8-4-5-9-20(19)26-13-12-25-18-6-2-1-3-7-18/h1-9,16-17H,10-15H2,(H,22,24)
InChIKeyDCUZDYFPJFXOAJ-UHFFFAOYSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aS)-N-[2-(2-phenoxyethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 118778108
3-[2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)phenyl]propanoic acid
CID 107274049
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
(1S,5R)-N-(2-methoxyphenyl)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72940636
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156607656) is N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccc1OCCOc1ccccc1)N1CC2CCC1C2.
What is the InChIKey of N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DCUZDYFPJFXOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(23-15-16-10-11-17(23)14-16)22-19-8-4-5-9-20(19)26-13-12-25-18-6-2-1-3-7-18/h1-9,16-17H,10-15H2,(H,22,24).
What are the key properties of N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156607656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).