Chemical ID: 5375590

CCCCNC(=O)COC(=O)c1ccc(cc1)N(C)C
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

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Descriptor Annotations

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