Chemical ID: 5445684

CCCCNC(=O)COC(=O)c1ccc(cc1)NC(=O)C
Chemical ID:
5445684
Name [?]:
butylcarbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CCCCNC(=O)COC(=O)c1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C15H20N2O4/c1-3-4-9-16-14(19)10-21-15(20)12-5-7-13(8-6-12)17-11(2)18/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,13,17,14,16,4,8,19,12,15,6,10,5,18,20,7,11,9/E:(5,6)(7,8)/rA:21nCCCCNCOCOCOCCCCCCNCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.28514
Area:540.099
Solvation:-4.21734
Coulombic:-60.0879
Bond Count [?]
All:21
Single:15
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.33
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.73
LogP (Chemaxon):1.05

Name Annotations

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Descriptor Annotations

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