Chemical ID: 7020114

CCCCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
Chemical ID:
7020114
Name [?]:
N-[(4-butoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C21H34N2O3/c1-6-7-12-26-18-10-8-17(9-11-18)21(22-19(24)13-15(2)3)23-20(25)14-16(4)5/h8-11,15-16,21H,6-7,12-14H2,1-5H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,18,19,25,26,2,3,8,10,7,11,4,16,23,17,24,9,6,14,21,12,13,20,15,22,5/E:(2,3,4,5)(8,9)(10,11)(13,14)(15,16)(19,20)(22,23)(24,25)/gE:(1,2)/rA:26nCCCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;s17;s17;s12;s20;d21;s21;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H34N2O3
All Atoms:60
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5824
Area:646.181
Solvation:-4.57217
Coulombic:-49.6256
Bond Count [?]
All:26
Single:21
Double:5
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:362.506
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.09
LogP (Chemaxon):4.03

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Descriptor Annotations

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