(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide

C13H22N2O2 — CID 98532778

IUPAC(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C13H22N2O2/c1-14(2)12(16)10-8-5-6-9(7-8)11(10)13(17)15(3)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+/m0/s1
InChIKeyCFUWEHCLGQGUFT-XWLWVQCSSA-N
MW238.33 g/mol
LogP0.83
Rot. Bonds2

About (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide

(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide (PubChem CID 98532778) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide.

Molecular Properties

Compound Name(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
PubChem CID98532778
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C13H22N2O2/c1-14(2)12(16)10-8-5-6-9(7-8)11(10)13(17)15(3)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+/m0/s1
InChIKeyCFUWEHCLGQGUFT-XWLWVQCSSA-N
XLogP0.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide 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

(1R,5R,6R,7S)-6-N,6-N,7-N,7-N-tetramethylbicyclo[3.2.2]nonane-6,7-dicarboxamide
CID 98525013
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
3-(dipentylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 68828286
(1R,2S,3R,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98151063
(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146233971
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
(1S,2R,3S,4S)-3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51008257
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide
CID 130581774

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide?
The IUPAC name of (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide (CID 98532778) is (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide.
What is the SMILES notation for (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide?
The canonical SMILES for (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide is CN(C)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N(C)C.
What is the InChIKey of (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide?
The InChIKey is CFUWEHCLGQGUFT-XWLWVQCSSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14(2)12(16)10-8-5-6-9(7-8)11(10)13(17)15(3)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+/m0/s1.
What are the key properties of (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide?
(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide is sourced from PubChem (CID 98532778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).