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Chemical ID: 6322851
Chemical ID:
6322851
Name [?]:
3,4-dimethyl-N,N-dipropyl-benzamide
SMILES [?]:
CCCN(CCC)C(=O)c1ccc(c(c1)C)C
InChi [?]:
InChI=1/C15H23NO/c1-5-9-16(10-6-2)15(17)14-8-7-12(3)13(4)11-14/h7-8,11H,5-6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,17,16,2,6,12,11,3,5,15,13,14,10,8,4,9/E:(1,2)(5,6)(9,10)/rA:17nCCCNCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64069 |
Area: | 443.937 |
Solvation: | -1.45773 |
Coulombic: | -19.5267 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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