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Chemical ID: 5377129
Chemical ID:
5377129
Name [?]:
N-[2,2-dimethylpropanoylamino-(4-methoxyphenyl)-methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(c1ccc(cc1)OC)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C18H28N2O3/c1-17(2,3)15(21)19-14(20-16(22)18(4,5)6)12-8-10-13(23-7)11-9-12/h8-11,14H,1-7H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,22,23,16,10,14,11,13,9,12,8,5,18,2,20,7,17,6,19,15/E:(1,2,3,4,5,6)(8,9)(10,11)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:23nCCCCCONCCCCCCCOCNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s8;s17;d18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96112 |
Area: | 538.989 |
Solvation: | -4.51361 |
Coulombic: | -49.7167 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.57 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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