N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide

C18H26N2O2 — CID 123608780

IUPACN-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCCCN2CC3CCC3C2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-18(21)19-16-6-8-17(9-7-16)22-11-3-10-20-12-14-4-5-15(14)13-20/h6-9,14-15H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyDQFZRLSXXATDBX-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide

N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide (PubChem CID 123608780) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
PubChem CID123608780
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCCCN2CC3CCC3C2)cc1
InChIInChI=1S/C18H26N2O2/c1-2-18(21)19-16-6-8-17(9-7-16)22-11-3-10-20-12-14-4-5-15(14)13-20/h6-9,14-15H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyDQFZRLSXXATDBX-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.15
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

N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
CID 67234774
N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
CID 69062946
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
CID 67235001
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
CID 53236223
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-cyclopentyl-N-ethylbenzamide;oxalic acid
CID 69065089
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
CID 77252633

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide?
The IUPAC name of N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide (CID 123608780) is N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide.
What is the SMILES notation for N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide?
The canonical SMILES for N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide is CCC(=O)Nc1ccc(OCCCN2CC3CCC3C2)cc1.
What is the InChIKey of N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide?
The InChIKey is DQFZRLSXXATDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-18(21)19-16-6-8-17(9-7-16)22-11-3-10-20-12-14-4-5-15(14)13-20/h6-9,14-15H,2-5,10-13H2,1H3,(H,19,21).
What are the key properties of N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide?
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide is sourced from PubChem (CID 123608780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).