Chemical ID: 7038882

CC(C)CC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CC(C)C
Chemical ID:
7038882
Name [?]:
N-[(3-benzyloxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CC(C)C
InChi [?]:
InChI=1/C24H32N2O3/c1-17(2)13-22(27)25-24(26-23(28)14-18(3)4)20-11-8-12-21(15-20)29-16-19-9-6-5-7-10-19/h5-12,15,17-18,24H,13-14,16H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,29,20,19,21,11,18,22,10,12,4,26,14,16,2,27,17,9,13,5,24,8,7,23,6,25,15/E:(1,2,3,4)(6,7)(9,10)(13,14)(17,18)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O3
All Atoms:61
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7999
Area:669.434
Solvation:-4.93593
Coulombic:-50.735
Bond Count [?]
All:30
Single:22
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:396.523
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.44
LogP (Chemaxon):4.6

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Descriptor Annotations

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