4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide

C18H26N2O2 — CID 123186062

IUPAC4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide
SMILESNC(=O)c1ccc(COCCCCN2CC3CCC3C2)cc1
InChIInChI=1S/C18H26N2O2/c19-18(21)15-5-3-14(4-6-15)13-22-10-2-1-9-20-11-16-7-8-17(16)12-20/h3-6,16-17H,1-2,7-13H2,(H2,19,21)
InChIKeyRCEUHFURDJJLCZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.42
Rot. Bonds8

About 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide

4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide (PubChem CID 123186062) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide.

Molecular Properties

Compound Name4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide
PubChem CID123186062
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide
SMILESNC(=O)c1ccc(COCCCCN2CC3CCC3C2)cc1
InChIInChI=1S/C18H26N2O2/c19-18(21)15-5-3-14(4-6-15)13-22-10-2-1-9-20-11-16-7-8-17(16)12-20/h3-6,16-17H,1-2,7-13H2,(H2,19,21)
InChIKeyRCEUHFURDJJLCZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.42
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

4-[3-(propan-2-ylamino)propoxymethyl]benzamide
CID 62343389
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599
2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-N-methylacetamide
CID 67235001
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
4-[[2-(1-adamantyl)-2-oxoethoxy]methyl]benzamide
CID 59322099
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
CID 106825421

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide?
The IUPAC name of 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide (CID 123186062) is 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide.
What is the SMILES notation for 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide?
The canonical SMILES for 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide is NC(=O)c1ccc(COCCCCN2CC3CCC3C2)cc1.
What is the InChIKey of 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide?
The InChIKey is RCEUHFURDJJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(21)15-5-3-14(4-6-15)13-22-10-2-1-9-20-11-16-7-8-17(16)12-20/h3-6,16-17H,1-2,7-13H2,(H2,19,21).
What are the key properties of 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide?
4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-azabicyclo[3.2.0]heptan-3-yl)butoxymethyl]benzamide is sourced from PubChem (CID 123186062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).