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Chemical ID: 5375590
Chemical ID:
5375590
Name [?]:
butylcarbamoylmethyl 4-dimethylaminobenzoate
SMILES [?]:
CCCCNC(=O)COC(=O)c1ccc(cc1)N(C)C
InChi [?]:
InChI=1/C15H22N2O3/c1-4-5-10-16-14(18)11-20-15(19)12-6-8-13(9-7-12)17(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,3,13,17,14,16,4,8,12,15,6,10,5,18,7,11,9/E:(2,3)(6,7)(8,9)/rA:20nCCCCNCOCOCOCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.79211 |
Area: | 524.138 |
Solvation: | -3.31133 |
Coulombic: | -47.8061 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.69 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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