N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C11H20N2O2 — CID 170020174

IUPACN-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-4-5-10(13)8-15-7-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeySBVFLOPFKJQYOI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds3

About N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 170020174) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID170020174
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCCNC(=O)N1C2CCC1COC2
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-4-5-10(13)8-15-7-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeySBVFLOPFKJQYOI-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide 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

(2S)-2-(trifluoromethoxymethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362137
(2S,5S)-2-(trifluoromethoxymethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 174088651
(1R,5S)-N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71795978
4-(diethylamino)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 72153048
N-cyclohexyl-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 110874574
1-[1-(Oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 115582549
N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 115667406
N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 121599137
Tert-butyl 1-amino-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 130410873
N-(3-oxa-8-azabicyclo[3.2.1]octan-1-yl)acetamide
CID 130410874
(2R)-2-(methoxymethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 172528733
N-(2-ethoxypropyl)-2-(propan-2-yloxymethyl)pyrrolidine-1-carboxamide
CID 174287271

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 170020174) is N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is CCCCNC(=O)N1C2CCC1COC2.
What is the InChIKey of N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is SBVFLOPFKJQYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-4-5-10(13)8-15-7-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 170020174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).