N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C11H20N2O2 — CID 120831827

IUPACN-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(C)CNC(=O)C1CC2CCC1O2
InChIInChI=1S/C11H20N2O2/c1-7(12-2)6-13-11(14)9-5-8-3-4-10(9)15-8/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyAIWSWFHUHCEHOP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds4

About N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 120831827) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID120831827
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(C)CNC(=O)C1CC2CCC1O2
InChIInChI=1S/C11H20N2O2/c1-7(12-2)6-13-11(14)9-5-8-3-4-10(9)15-8/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyAIWSWFHUHCEHOP-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-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

N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
(1R,2S,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378289
(1R,2R,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378287
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
(1R,2S,4R)-N-[(2R)-1-anilinopropan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98787989
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129435254
N-[2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71974055
(1R,2S,4R)-N-[(2S)-2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378500
(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129422421
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 120831827) is N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CNC(C)CNC(=O)C1CC2CCC1O2.
What is the InChIKey of N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AIWSWFHUHCEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(12-2)6-13-11(14)9-5-8-3-4-10(9)15-8/h7-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 120831827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).