Chemical ID: 4550390

CC(C)CC(=O)Nc1ccc(c(c1)OC)NC(=O)C(C)C
Chemical ID:
4550390
Name [?]:
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(c(c1)OC)NC(=O)C(C)C
InChi [?]:
InChI=1/C16H24N2O3/c1-10(2)8-15(19)17-12-6-7-13(14(9-12)21-5)18-16(20)11(3)4/h6-7,9-11H,8H2,1-5H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,15,9,10,4,13,2,19,8,11,12,5,17,7,16,6,18,14/E:(1,2)(3,4)/rA:21nCCCCCONCCCCCCOCNCOCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.94611
Area:515.306
Solvation:-3.93653
Coulombic:-47.4557
Bond Count [?]
All:21
Single:16
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.373
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.9
LogP (Chemaxon):2.99

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Descriptor Annotations

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