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Chemical ID: 3898854
Chemical ID:
3898854
Name [?]:
N-[2,5-dimethoxy-4-(2-methylpropanoylamino)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1cc(c(cc1OC)NC(=O)C(C)C)OC
InChi [?]:
InChI=1/C16H24N2O4/c1-6-7-15(19)17-11-8-14(22-5)12(9-13(11)21-4)18-16(20)10(2)3/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,14,22,2,3,8,11,18,7,10,12,9,4,16,6,15,5,17,13,21/E:(2,3)/rA:22nCCCCONCCCCCCOCNCOCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s16;s18;s18;s9;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03716 |
Area: | 523.254 |
Solvation: | -4.0442 |
Coulombic: | -55.2208 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 308.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.31 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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