N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide

C19H28N2O2 — CID 67235001

IUPACN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(22)20(2)18-7-9-19(10-8-18)23-12-4-3-11-21-13-16-5-6-17(16)14-21/h7-10,16-17H,3-6,11-14H2,1-2H3/t16-,17+
InChIKeyLFEMPTBBMSOLJX-CALCHBBNSA-N
MW316.44 g/mol
LogP3.17
Rot. Bonds7

About N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide

N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide (PubChem CID 67235001) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
PubChem CID67235001
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(22)20(2)18-7-9-19(10-8-18)23-12-4-3-11-21-13-16-5-6-17(16)14-21/h7-10,16-17H,3-6,11-14H2,1-2H3/t16-,17+
InChIKeyLFEMPTBBMSOLJX-CALCHBBNSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]butoxy]phenyl]-N-methylacetamide;hydrochloride
CID 68804530
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
CID 67234774
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
4-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethoxy]-N,N-diethylbenzamide
CID 77252633
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]-N-methylacetamide
CID 162670745
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzaldehyde
CID 172730265
(1S,5R)-3-(4-phenoxybutyl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154908285
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-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
CID 69062946

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide (CID 67235001) is N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1.
What is the InChIKey of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide?
The InChIKey is LFEMPTBBMSOLJX-CALCHBBNSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(22)20(2)18-7-9-19(10-8-18)23-12-4-3-11-21-13-16-5-6-17(16)14-21/h7-10,16-17H,3-6,11-14H2,1-2H3/t16-,17+.
What are the key properties of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide?
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide has a molecular weight of 316.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 67235001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).