ChemDB: Chemical Search
Download
Chemical ID: 4887250
Chemical ID:
4887250
Name [?]:
N-butyl-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
SMILES [?]:
CCCCNC(=O)C12CCC(C1(C)C)(C(=O)C2)C
InChi [?]:
InChI=1/C15H25NO2/c1-5-6-9-16-12(18)15-8-7-14(4,11(17)10-15)13(15,2)3/h5-10H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,18,2,3,10,9,4,17,15,6,12,11,8,5,16,7/E:(2,3)/rA:18cCCCCNCOCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;s12;s11;d15;s8s15;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.59127 |
Area: | 448.16 |
Solvation: | -2.61274 |
Coulombic: | -28.6889 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.01 |
LogP (Chemaxon): | 3.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|