Chemical ID: 6389048

CCCCCNC(=O)c1ccc(cc1OC)OC
Chemical ID:
6389048
Name [?]:
2,4-dimethoxy-N-pentyl-benzamide
SMILES [?]:
CCCCCNC(=O)c1ccc(cc1OC)OC
InChi [?]:
InChI=1/C14H21NO3/c1-4-5-6-9-15-14(16)12-8-7-11(17-2)10-13(12)18-3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,16,2,3,4,11,10,5,13,12,9,14,7,6,8,17,15/rA:18nCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s12;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.1274
Area:475.641
Solvation:-4.76362
Coulombic:-35.7066
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):2.04

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