N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide

C19H28N2O3 — CID 67234774

IUPACN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-2-10-21-12-15-4-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)/t15-,16+
InChIKeyKGLSQDZJVARTMU-IYBDPMFKSA-N
MW332.44 g/mol
LogP2.77
Rot. Bonds9

About N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide

N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide (PubChem CID 67234774) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
PubChem CID67234774
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-2-10-21-12-15-4-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)/t15-,16+
InChIKeyKGLSQDZJVARTMU-IYBDPMFKSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-2-methoxyacetamide 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-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
CID 69062946
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
CID 53236223
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
CID 67235001
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-[4-(dicyclopropylmethylamino)phenyl]-2-methoxyacetamide
CID 43717450
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide (CID 67234774) is N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(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]-2-methoxyacetamide?
The InChIKey is KGLSQDZJVARTMU-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-2-10-21-12-15-4-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)/t15-,16+.
What are the key properties of N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide?
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-methoxyacetamide is sourced from PubChem (CID 67234774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).