Chemical ID: 7038726

CCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
Chemical ID:
7038726
Name [?]:
N-[(4-ethoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C19H30N2O3/c1-6-24-16-9-7-15(8-10-16)19(20-17(22)11-13(2)3)21-18(23)12-14(4)5/h7-10,13-14,19H,6,11-12H2,1-5H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,17,23,24,2,6,8,5,9,14,21,15,22,7,4,12,19,10,11,18,13,20,3/E:(2,3,4,5)(7,8)(9,10)(11,12)(13,14)(17,18)(20,21)(22,23)/gE:(1,2)/rA:24nCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;s15;s10;s18;d19;s19;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30N2O3
All Atoms:54
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1375
Area:589.809
Solvation:-4.60775
Coulombic:-48.8275
Bond Count [?]
All:24
Single:19
Double:5
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:334.453
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.16
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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