Chemical ID: 6002272

CCCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc3ccccc3c2
Chemical ID:
6002272
Name [?]:
N-hexyl-N-(isoxazol-3-ylcarbamoylmethyl)naphthalene-2-carboxamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H25N3O3/c1-2-3-4-7-13-25(16-21(26)23-20-12-14-28-24-20)22(27)19-11-10-17-8-5-6-9-18(17)15-19/h5-6,8-12,14-15H,2-4,7,13,16H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,24,25,5,23,26,21,20,13,6,14,28,8,22,27,19,12,9,17,11,16,7,10,18,15/rA:28nCCCCCCNCCONCCCONCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s7;d17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4529
Area:624.068
Solvation:-4.14883
Coulombic:-43.6615
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.452
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.11
LogP (Chemaxon):4.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue