4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide

C19H28N2O2 — CID 77252633

IUPAC4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OCCN2CC3CCC3C2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-21(4-2)19(22)15-7-9-18(10-8-15)23-12-11-20-13-16-5-6-17(16)14-20/h7-10,16-17H,3-6,11-14H2,1-2H3
InChIKeySAAITABNCOEGKA-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds7

About 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide

4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide (PubChem CID 77252633) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
PubChem CID77252633
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OCCN2CC3CCC3C2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-21(4-2)19(22)15-7-9-18(10-8-15)23-12-11-20-13-16-5-6-17(16)14-20/h7-10,16-17H,3-6,11-14H2,1-2H3
InChIKeySAAITABNCOEGKA-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-cyclopentyl-N-ethylbenzamide;oxalic acid
CID 69065089
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
CID 67235001
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
N-[3-[2-(4-cyanophenoxy)ethyl]-3-azabicyclo[3.2.1]octan-8-yl]-N,2-dimethylpropanamide
CID 18540917
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
(1S,5R,6R)-3-[2-(4-propoxyphenoxy)ethyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137337743
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide?
The IUPAC name of 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide (CID 77252633) is 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide?
The canonical SMILES for 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(OCCN2CC3CCC3C2)cc1.
What is the InChIKey of 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide?
The InChIKey is SAAITABNCOEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-21(4-2)19(22)15-7-9-18(10-8-15)23-12-11-20-13-16-5-6-17(16)14-20/h7-10,16-17H,3-6,11-14H2,1-2H3.
What are the key properties of 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide?
4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide has a molecular weight of 316.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide is sourced from PubChem (CID 77252633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).