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Chemical ID: 6431863
Chemical ID:
6431863
Name [?]:
N-[(4-butoxyphenyl)-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C21H34N2O3/c1-8-9-14-26-16-12-10-15(11-13-16)17(22-18(24)20(2,3)4)23-19(25)21(5,6)7/h10-13,17H,8-9,14H2,1-7H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,24,25,26,2,3,8,10,7,11,4,9,6,12,14,21,16,23,13,20,15,22,5/E:(2,3,4,5,6,7)(10,11)(12,13)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:26nCCCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;s16;s16;s12;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1182 |
Area: | 620.761 |
Solvation: | -4.40085 |
Coulombic: | -50.7809 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 362.506 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.92 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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