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Chemical ID: 6389048
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
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Experimental Annotations
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Descriptor Annotations
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