N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide

C17H24N2O4 — CID 138011265

IUPACN-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CC3COCC(C2)O3)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-14-5-3-13(4-6-14)7-8-18-17(20)19-9-15-11-21-12-16(10-19)23-15/h3-6,15-16H,2,7-12H2,1H3,(H,18,20)
InChIKeyGLQCIWFEAIOOMI-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.44
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 138011265) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID138011265
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CC3COCC(C2)O3)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-14-5-3-13(4-6-14)7-8-18-17(20)19-9-15-11-21-12-16(10-19)23-15/h3-6,15-16H,2,7-12H2,1H3,(H,18,20)
InChIKeyGLQCIWFEAIOOMI-UHFFFAOYSA-N
XLogP1.44
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide with MolForge

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Related Compounds

(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
N-[(4-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108890746
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
(3S,4S)-N-[2-(4-ethylphenyl)ethyl]-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 122557048
(3aS,7aS)-N-[2-(4-ethoxyphenyl)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138011625
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
1-[2-(3-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007190
N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230966

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide (CID 138011265) is N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide is CCOc1ccc(CCNC(=O)N2CC3COCC(C2)O3)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is GLQCIWFEAIOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-14-5-3-13(4-6-14)7-8-18-17(20)19-9-15-11-21-12-16(10-19)23-15/h3-6,15-16H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-3,9-dioxa-7-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 138011265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).