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Chemical ID: 7038727
Chemical ID:
7038727
Name [?]:
N-[2,2-dimethylpropanoylamino-(4-ethoxyphenyl)-methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C19H30N2O3/c1-8-24-14-11-9-13(10-12-14)15(20-16(22)18(2,3)4)21-17(23)19(5,6)7/h9-12,15H,8H2,1-7H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,22,23,24,2,6,8,5,9,7,4,10,12,19,14,21,11,18,13,20,3/E:(2,3,4,5,6,7)(9,10)(11,12)(16,17)(18,19)(20,21)(22,23)/gE:(1,2)/rA:24nCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3 |
All Atoms: | 54 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7966 |
Area: | 568.466 |
Solvation: | -4.41505 |
Coulombic: | -49.9826 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.99 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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