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Chemical ID: 7038835
Chemical ID:
7038835
Name [?]:
N-[2,2-dimethylpropanoylamino-(3,4,5-trimethoxyphenyl)-methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(c1cc(c(c(c1)OC)OC)OC)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C20H32N2O5/c1-19(2,3)17(23)21-16(22-18(24)20(4,5)6)12-10-13(25-7)15(27-9)14(11-12)26-8/h10-11,16H,1-9H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,26,27,16,20,18,14,10,9,13,11,12,8,5,22,2,24,7,21,6,23,15,19,17/E:(1,2,3,4,5,6)(7,8)(10,11)(13,14)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCOCOCNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s11;s19;s8;s21;d22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84545 |
Area: | 584.299 |
Solvation: | -7.76202 |
Coulombic: | -62.9352 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 380.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.0 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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