Chemical ID: 5370244

CC(C)CCOc1ccc(cc1OC)C(NC(=O)CC(C)C)NC(=O)CC(C)C
Chemical ID:
5370244
Name [?]:
N-[(4-isopentyloxy-3-methoxy-phenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C23H38N2O4/c1-15(2)10-11-29-19-9-8-18(14-20(19)28-7)23(24-21(26)12-16(3)4)25-22(27)13-17(5)6/h8-9,14-17,23H,10-13H2,1-7H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,28,29,14,9,8,4,5,19,26,11,2,20,27,10,7,12,17,24,15,16,23,18,25,13,6/E:(1,2)(3,4,5,6)(12,13)(16,17)(21,22)(24,25)(26,27)/gE:(1,2)/rA:29nCCCCCOCCCCCCOCCNCOCCCCNCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;s20;s20;s15;s23;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H38N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6333
Area:690.346
Solvation:-6.62534
Coulombic:-56.0173
Bond Count [?]
All:29
Single:24
Double:5
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:406.559
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.24
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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