Chemical ID: 4348801

CC(C)CC(=O)NC(c1ccc(c(c1)OC)OC)NC(=O)CC(C)C
Chemical ID:
4348801
Name [?]:
N-[(3,4-dimethoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1ccc(c(c1)OC)OC)NC(=O)CC(C)C
InChi [?]:
InChI=1/C19H30N2O4/c1-12(2)9-17(22)20-19(21-18(23)10-13(3)4)14-7-8-15(24-5)16(11-14)25-6/h7-8,11-13,19H,9-10H2,1-6H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,18,16,10,11,4,22,14,2,23,9,12,13,5,20,8,7,19,6,21,17,15/E:(1,2,3,4)(9,10)(12,13)(17,18)(20,21)(22,23)/gE:(1,2)/rA:25nCCCCCONCCCCCCCOCOCNCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s8;s19;d20;s20;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.07668
Area:595.134
Solvation:-6.80168
Coulombic:-54.6732
Bond Count [?]
All:25
Single:20
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:350.453
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):2.57

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Descriptor Annotations

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